SCHEMBL4970515

SCHEMBL4970515

c1ccc(N(CCCCN(c2ccccc2)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.50
SIGMAR1 Q99720 2/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
SMPD1 P17405 1/20 0.41

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
SCHEMBL4194250 0.97 KCNH2 (0.48) KCNH2SIGMAR1MTNR1AMTNR1BSMPD1
SCHEMBL10830280 0.97 KCNH2 (0.48) KCNH2SIGMAR1MTNR1AMTNR1BSMPD1
Hydrochloric Acid SCHEMBL10830320 0.95 KCNH2 (0.47) KCNH2SIGMAR1MTNR1AMTNR1B
SCHEMBL138431 0.94 KCNH2 (0.50) KCNH2SIGMAR1MTNR1AMTNR1BSMPD1
SCHEMBL5928290 0.88 KCNA3 (0.47) KCNH2SIGMAR1MTNR1AMTNR1B
SCHEMBL720769 0.88 NPC1 (0.50) KCNH2SIGMAR1MTNR1AMTNR1B
SCHEMBL6547425 0.88 KCNH2 (0.43) KCNH2SIGMAR1MTNR1AMTNR1BSMPD1
SCHEMBL7956627 0.88 KCNH2 (0.43) KCNH2SIGMAR1MTNR1AMTNR1BSMPD1
SCHEMBL7567105 0.88 MAOA (0.46) KCNH2SIGMAR1MTNR1AMTNR1B
SCHEMBL10712519 0.88 KCNH2 (0.43) KCNH2SIGMAR1MTNR1AMTNR1BSMPD1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0829463-B2 Process for preparing an (E)-(R)-2-alkyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)-2-buten-1-ol TAKASAGO PERFUMERY CO LTD (JP) 2008-11-05 EP disclosed
EP-0829463-B1 (E)-(R)-2-Alkyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)-2-buten-1-ol, process for preparing the same, and use thereof in perfume compositions TAKASAGO PERFUMERY CO LTD (JP) 2001-12-19 EP disclosed
US-6084138-A CATALYST SELECTIVE AND STEREOSPECIFIC REDUCTION OF CORRESPONDING ALDEHYDE IN THE PRESENCE OF A RUTHENIUM-PHOSPHINE COMPLEX CATALYST, AN ALKALI OR ALKALINE EARTH METAL BASE AND AN AMINE TAKASAGO INTERNATIONAL CORPORATION (JP) 2000-07-04 US disclosed
US-5994291-A (E)-(R)-2-alkyl-4-(2,2,3,-Trimethylcyclopent-3-en-1-yl)-2-buten-1-ol, process for preparing the same, and use thereof TAKASAGO INTERNATIONAL COPORATION (JP) 1999-11-30 US disclosed
US-5856590-A HYDROGENATING 4-T-BUTYLCYCLOHEXANONE BY USING A SPECIFIC RUTHENIUM-PHOSPHINE COMPLEX AS A CATALYST IN THE PRESENCE OF A BASE TAKASAGO INTERNATIONAL CORPORATION (JP) 1999-01-05 US disclosed
US-5750804-A HYDROGENATING 3-ISOCAMPHYLCYCLOHEXANONE USING RUTHENIUM/PHOSPHINE COMPLEX CATALYST IN PRESENCE OF ALKALI METAL OR ALKALINE EARTH METAL AND AMINE BASE TAKASAGO INTERNATIONAL CORPORATION (JP) 1998-05-12 US disclosed
EP-0829463-A2 (E)-(R)-2-Alkyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)-2-buten-1-ol, process for preparing the same, and use thereof in perfume compositions Takasago International Corporation (JP) 1998-03-18 EP disclosed