SCHEMBL6863152

SCHEMBL6863152

N#Cc1cccc(CN2CCN(CC(=O)NO)CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.61
MEP1A Q16819 1/20 0.54
MEP1B Q16820 1/20 0.54
CHRM3 P20309 1/20 0.49
CCR3 P51677 1/20 0.49
KMT2A Q03164 2/20 0.49
RORC P51449 1/20 0.48
ALDH1A1 P00352 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
GPR6 P46095 1/20 0.46
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45

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
SCHEMBL6865185 0.84 FAAH (0.60) FAAHCHRM3CCR3RORCGPR6
SCHEMBL28024099 0.83 FAAH (0.63) FAAHCHRM3HTR1ADRD2
SCHEMBL20804353 0.83 FAAH (0.63) FAAHCHRM3HTR1ADRD2
SCHEMBL6864289 0.83 FAAH (0.59) FAAHCCR3KMT2AALDH1A1KDM4E
SCHEMBL6864686 0.83 ACKR3 (0.58) FAAHCHRM3CCR3RORCALDH1A1
SCHEMBL2926678 0.80 FAAH (0.72) FAAHCHRM3CCR3KMT2ARORC
SCHEMBL6864901 0.80 ALDH1A1 (0.50) KMT2AALDH1A1KDM4EMEN1
SCHEMBL7178916 0.80 ALDH1A1 (0.60) FAAHKMT2AALDH1A1KDM4EMEN1
SCHEMBL6863535 0.79 KMT2A (0.68) KMT2AALDH1A1KDM4EMEN1
SCHEMBL7105308 0.78 ALDH1A1 (0.55) CHRM3KMT2AALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5817489-A BACTERICIDES, OR CHEMICAL INTERMEDIATES THEREOF; DRUG LIBRARIES ISIS PHARMACEUTICALS, INC. (US) 1998-10-06 US claimed
US-6800444-B1 USEFUL AS ANTIBACTERIAL AND OTHER PHARMACEUTICAL AGENTS/INTERMEDIATES ISIS PHARMACEUTICALS, INC. 2004-10-05 US disclosed
US-6660466-B1 Reacting reactive appendage compounds such as meta benzylic compounds or alpha-amide compounds with scaffold molecules having reactive functionalities and contacting the intermediate library with a reducing agent ISIS PHARMACEUTICALS, INC. 2003-12-09 US disclosed
US-6150129-A USEFUL AS ANTIBACTERIAL AND OTHER PHARMACEUTICAL AGENTS AND AS INTERMEDIATES FOR PREPARATION OF OTHER PHARMACEUTICAL AGENTS ISIS PHARMACEUTICALS, INC. (US) 2000-11-21 US disclosed
US-5922872-A BACTERICIDES AND DRUGS ISIS PHARMACEUTICALS, INC. (US) 1999-07-13 US disclosed
US-5817489-A BACTERICIDES, OR CHEMICAL INTERMEDIATES THEREOF; DRUG LIBRARIES ISIS PHARMACEUTICALS, INC. (US) 1998-10-06 US disclosed
US-5798360-A ANTIBACTERIAL AGENTS ISIS PHARMACEUTICALS, INC. (US) 1998-08-25 US disclosed
US-5780241-A ALTERING ELECTROCHEMICAL PROPERTIES BY DECYCLIZATION ISIS PHARMACEUTICALS, INC. (US) 1998-07-14 US disclosed
WO-1998020349-A1 COMPLEX CHEMICAL LIBRARIES ISIS PHARMACEUTICALS, INC. (US) 1998-05-14 WO disclosed
US-5731438-A BACTERICIDES; DRUGS ISIS PHARMACEUTICALS, INC. (US) 1998-03-24 US disclosed
WO-1998005332-A1 NOVEL HETEROCYCLE COMPOSITIONS ISIS PHARMACEUTICALS, INC. (US) 1998-02-12 WO disclosed