SCHEMBL9057212

SCHEMBL9057212

COc1ccc(CN2CCCC/C2=N/C(=O)Nc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 2/20 0.54
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ KMT2A Q03164 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ TNF P01375 1/20 0.45
▸ NOD2 Q9HC29 1/20 0.45
▸ NOD1 Q9Y239 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ FPR2 P25090 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ HDAC1 Q13547 2/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ GRM5 P41594 1/20 0.43

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
SCHEMBL9057217 1.00 FAAH (0.54) FAAHNPC1RAB9ALMNAALDH1A1
SCHEMBL8326096 0.90 L3MBTL1 (0.52) FAAHNPC1RAB9AALDH1A1KDM4E
SCHEMBL8326098 0.90 L3MBTL1 (0.52) FAAHNPC1RAB9AALDH1A1KDM4E
SCHEMBL11742211 0.86 SLC6A3 (0.50) FAAHLMNAALDH1A1KMT2AKDM4E
SCHEMBL11742215 0.86 SLC6A3 (0.50) FAAHLMNAALDH1A1KMT2AKDM4E
SCHEMBL11741169 0.82 LMNA (0.53) FAAHNPC1RAB9ALMNAALDH1A1
SCHEMBL11741176 0.82 LMNA (0.53) FAAHNPC1RAB9ALMNAALDH1A1
SCHEMBL11741902 0.80 MAPT (0.48) FAAHNPC1RAB9ALMNAALDH1A1
SCHEMBL11741909 0.80 MAPT (0.48) FAAHNPC1RAB9ALMNAALDH1A1
SCHEMBL11739680 0.78 SIGMAR1 (0.50) NPC1RAB9ALMNAALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996014844-A1 CYCLIC AMIDINE ANALOGS AS INHIBITORS OF NITRIC OXIDE SYNTHASE MERCK & CO., INC. (US) 1996-05-23 — — WO claimed
WO-1996014844-A1 CYCLIC AMIDINE ANALOGS AS INHIBITORS OF NITRIC OXIDE SYNTHASE MERCK & CO., INC. (US) 1996-05-23 — — WO disclosed
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