SCHEMBL6973817

SCHEMBL6973817

O=C(NCc1ccc(Cl)cc1)c1ccc(CCc2c[nH]cn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C19 P33261 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CYP3A4 P08684 1/20 0.48
MAPK14 Q16539 1/20 0.48
NAMPT P43490 1/20 0.47
LMNA P02545 2/20 0.47
TSHR P16473 1/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
GFER P55789 1/20 0.47
EPHX2 P34913 1/20 0.46
PPARG P37231 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46

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
SCHEMBL6968562 1.00 POLB (0.53) POLBMEN1KMT2ACYP1A2CYP2C19
SCHEMBL6962291 0.90 NPC1 (0.60) MEN1KMT2ACYP1A2CYP2C19RAB9A
SCHEMBL6972506 0.90 NPC1 (0.60) MEN1KMT2ACYP1A2CYP2C19RAB9A
SCHEMBL6960067 0.89 MEN1 (0.56) POLBMEN1KMT2ACYP1A2CYP2C19
SCHEMBL6961677 0.89 MEN1 (0.56) POLBMEN1KMT2ACYP1A2CYP2C19
SCHEMBL9029336 0.85 POLB (0.40) POLBMEN1KMT2ACYP1A2CYP2C19
SCHEMBL1300384 0.83 NPC1 (0.52) MEN1KMT2ACYP1A2CYP2C19RAB9A
SCHEMBL6962284 0.82 NPC1 (0.59) POLBMEN1KMT2ACYP1A2CYP2C19
SCHEMBL6967911 0.82 NPC1 (0.59) POLBMEN1KMT2ACYP1A2CYP2C19
SCHEMBL224352 0.81 DAO (0.41) MEN1KMT2ASMN1; SMN2LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0729459-B1 PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS SCHERING CORP (US) 2003-03-12 EP disclosed
US-5578616-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, TREATMENT FOR GASTROINTESTINAL AND CARDIOVASCULAR DISORDERS SCHERING CORPORATION (US) 1996-11-26 US disclosed
EP-0729459-A1 PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 1996-09-04 EP disclosed
WO-1995014007-A1 PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 1995-05-26 WO disclosed