SCHEMBL543076

SCHEMBL543076

Nc1ccc(C2CCC(N)CC2)cc1C1CCC(N)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.40
MAOB P27338 1/20 0.40
SPHK1 Q9NYA1 1/20 0.39
HDAC1 Q13547 5/20 0.38
HDAC2 Q92769 4/20 0.38
HDAC3 O15379 1/20 0.38
BACE1 P56817 1/20 0.33
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
QDPR P09417 1/20 0.31
ESR2 Q92731 1/20 0.31
KCNH2 Q12809 1/20 0.30
HRH4 Q9H3N8 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6935620 0.92 HDAC1 (0.41) HDAC1HDAC2HDAC3BACE1QDPR
SCHEMBL10627717 0.82 BACE1 (0.49) HDAC1HDAC2HDAC3BACE1
SCHEMBL26772807 0.79 CHRNB2 (0.41) HDAC1HDAC2HDAC3QDPRKCNH2
SCHEMBL26165322 0.79 QDPR (0.54) KDM1AHDAC1HDAC2HDAC3QDPR
SCHEMBL6940702 0.75 HDAC2 (0.38) HDAC1HDAC2HDAC3BACE1QDPR
SCHEMBL25541093 0.75 QDPR (0.49) BACE1QDPRKCNH2HRH4HRH3
SCHEMBL10936242 0.75 SPHK1 (0.39) KDM1AMAOBSPHK1HDAC1HDAC2
SCHEMBL843886 0.74 HDAC1 (0.44) HDAC1HDAC2HDAC3BACE1QDPR
SCHEMBL24073469 0.74 HDAC1 (0.41) HDAC1HDAC2HDAC3BACE1QDPR
SCHEMBL7923165 0.73 KDM1A (0.50) KDM1AMAOBSPHK1ESR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2157110-B1 Mixed polycycloaliphatic amines (MPCA) and MPCA alkylates as curatives for polyisocyanates AIR PROD & CHEM (US) 2012-02-08 EP claimed
US-8026318-B2 Mixed polycycloaliphatic amines (MPCA) and MPCA alkylates AIR PRODUCTS AND CHEMICALS, INC. (US) 2011-09-27 US claimed
US-20100048833-A1 Mixed Polycycloaliphatic Amines (MPCA) And MPCA Alkylates AIR PRODUCTS AND CHEMICALS, INC. (US) 2010-02-25 US claimed
EP-2157110-A2 Mixed Polycycloaliphatic Amines (MPCA) and MPCA Alkylates AIR PRODUCTS AND CHEMICALS, INC. (US) 2010-02-24 EP claimed
EP-0915135-A1 Asphalt release agent for truck beds MORTON INTERNATIONAL, INC. (US) 1999-05-12 EP claimed
US-5888279-A AQUEOUS MIXTURE OF POLYCYCLOALIPHATIC AMINE AND POLYALKYLENE GLYCOL MORTON INTERNATIONAL, INC. (US) 1999-03-30 US claimed
US-8759470-B2 Mixed polycycloaliphatic amines (MPCA) and MPCA alkylates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-06-24 US disclosed
EP-2447294-A1 Mixed Polycycloaliphatic Amines (MPCA) and MPCA Alkylates Air Products and Chemicals, Inc. (US) 2012-05-02 EP disclosed
EP-2157110-B1 Mixed polycycloaliphatic amines (MPCA) and MPCA alkylates as curatives for polyisocyanates AIR PROD & CHEM (US) 2012-02-08 EP disclosed
US-8026318-B2 Mixed polycycloaliphatic amines (MPCA) and MPCA alkylates AIR PRODUCTS AND CHEMICALS, INC. (US) 2011-09-27 US disclosed
JP-2010047757-A MIXED POLYCYCLOALIPHATIC AMINE (MPCA) AND MPCA ALKYLATE AIR PRODUCTS & CHEMICALS INC 2010-03-04 JP disclosed
US-20100048833-A1 Mixed Polycycloaliphatic Amines (MPCA) And MPCA Alkylates AIR PRODUCTS AND CHEMICALS, INC. (US) 2010-02-25 US disclosed
EP-2157110-A2 Mixed Polycycloaliphatic Amines (MPCA) and MPCA Alkylates AIR PRODUCTS AND CHEMICALS, INC. (US) 2010-02-24 EP disclosed
US-5961730-A RELEASE AGENT INCLUDES A WATER-BASED MIXTURE OF POLYCYCLOALIPHATIC AMINES AND POLYALKYLENE GLYCOLS. MORTON INTERNATIONAL, INC. (US) 1999-10-05 US disclosed
EP-0915135-A1 Asphalt release agent for truck beds MORTON INTERNATIONAL, INC. (US) 1999-05-12 EP disclosed
US-5888279-A AQUEOUS MIXTURE OF POLYCYCLOALIPHATIC AMINE AND POLYALKYLENE GLYCOL MORTON INTERNATIONAL, INC. (US) 1999-03-30 US disclosed