SCHEMBL9763406

SCHEMBL9763406

Nc1ccc(CCCCOCCCCCCN(Cc2ccccc2)C(=O)C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.46
CES1 P23141 3/20 0.46
MAOB P27338 2/20 0.44
LPAR1 Q92633 1/20 0.41
LPAR5 Q9H1C0 1/20 0.41
SIGMAR1 Q99720 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
FFAR1 O14842 1/20 0.38
MC4R P32245 1/20 0.38
MC5R P33032 1/20 0.38
MC3R P41968 1/20 0.38

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
SCHEMBL9762903 0.97 FAAH (0.42) FAAHCES1MAOBLPAR1LPAR5
SCHEMBL9762900 0.86 FAAH (0.38) FAAHCES1MAOB
SCHEMBL9763654 0.85 FAAH (0.39) FAAHCES1LPAR1LPAR5MC4R
SCHEMBL6956260 0.84 RCE1 (0.49) FAAHCES1MAOBLPAR1LPAR5
SCHEMBL6967760 0.84 RCE1 (0.49) FAAHCES1MAOBLPAR1LPAR5
SCHEMBL9763575 0.83 SPHK1 (0.43) FAAHCES1
SCHEMBL9762547 0.82 KCNH2 (0.53) FAAHCES1SIGMAR1MC4R
SCHEMBL9763263 0.82 L3MBTL1 (0.45) FAAHCES1
SCHEMBL9763073 0.81 FAAH (0.39) FAAHCES1LPAR1LPAR5
SCHEMBL9763598 0.81 FFAR4 (0.43) NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4990505-A Treating asthma, bronchitis; adrenergic stimulants GLAXO GROUP LIMITED (GB) 1991-02-05 US disclosed