SCHEMBL9762903

SCHEMBL9762903

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

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.42
CES1 P23141 3/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAOB P27338 2/20 0.40
LPAR1 Q92633 1/20 0.39
LPAR5 Q9H1C0 1/20 0.39
MC4R P32245 1/20 0.38
MC5R P33032 1/20 0.38
MC3R P41968 1/20 0.38
CNR2 P34972 1/20 0.36

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
SCHEMBL9763406 0.97 FAAH (0.46) FAAHCES1NPC1RAB9AMAOB
SCHEMBL9762900 0.89 FAAH (0.38) FAAHCES1MAOB
SCHEMBL9763575 0.87 SPHK1 (0.43) FAAHCES1
SCHEMBL9763654 0.86 FAAH (0.39) FAAHCES1LPAR1LPAR5MC4R
SCHEMBL9762547 0.85 KCNH2 (0.53) FAAHCES1MC4R
SCHEMBL9763073 0.85 FAAH (0.39) FAAHCES1LPAR1LPAR5
SCHEMBL9763598 0.84 FFAR4 (0.43) NPC1
SCHEMBL6967760 0.84 RCE1 (0.49) FAAHCES1NPC1RAB9AMAOB
SCHEMBL6956260 0.84 RCE1 (0.49) FAAHCES1NPC1RAB9AMAOB
SCHEMBL9764529 0.82 L3MBTL1 (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5006556-A Dichloroaniline derivatives for the therapy or prophylaxysis of a disease associated with reversible airway obstruction GLAXO GROUP LIMITED (GB) 1991-04-09 US disclosed
US-4990505-A Treating asthma, bronchitis; adrenergic stimulants GLAXO GROUP LIMITED (GB) 1991-02-05 US disclosed
US-4943591-A TREATMENT OF ASTHMA AND BRONCHITIS GLAXO GROUP LIMITED (GB) 1990-07-24 US disclosed
EP-0181709-B1 DICHLOROANILINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1990-05-09 EP disclosed
EP-0181709-A1 Dichloroaniline Derivatives GLAXO GROUP LIMITED (GB) 1986-05-21 EP disclosed