SCHEMBL11205162

SCHEMBL11205162

ClCCCn1ncc2cc(OCc3ccccc3)ccc21

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.57
KCNH2 Q12809 11/20 0.57
CYP3A4 P08684 3/20 0.53
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
ALOX5 P09917 1/20 0.50
SRD5A2 P31213 1/20 0.48
MCHR2 Q969V1 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
SCHEMBL15770439 0.82 MCHR1 (0.52) MCHR1KCNH2CYP3A4MEN1NPC1
SCHEMBL2953604 0.78 MCHR1 (0.79) MCHR1KCNH2CYP3A4
SCHEMBL10785320 0.76 RECQL (0.54) MCHR1KCNH2CYP3A4NPC1RAB9A
SCHEMBL12340340 0.76 MCHR1 (0.81) MCHR1KCNH2CYP3A4
SCHEMBL2959141 0.76 MCHR1 (0.78) MCHR1KCNH2CYP3A4
Hydrochloric Acid SCHEMBL2955403 0.75 MCHR1 (0.77) MCHR1KCNH2CYP3A4
SCHEMBL319515 0.74 RECQL (0.61) NPC1RAB9A
SCHEMBL29850579 0.74 MCHR1 (0.47) MCHR1KCNH2CYP3A4MEN1NPC1
SCHEMBL3917675 0.73 SRD5A2 (0.56) MCHR1KCNH2MEN1NPC1RAB9A
SCHEMBL11194119 0.73 NPC1 (0.49) MCHR1CYP3A4MEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4409234-A Pyrazoloindazole derivatives and bronchodilating composition CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1983-10-11 US disclosed
EP-0023633-B1 PYRAZOLOINDAZOLE DERIVATIVES AND PROCESS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITIONS Chugai Seiyaku Kabushiki Kaisha (JP) 1982-11-24 EP disclosed
EP-0023633-A1 Pyrazoloindazole derivatives and process for preparing the same and pharmaceutical compositions Chugai Seiyaku Kabushiki Kaisha (JP) 1981-02-11 EP disclosed