SCHEMBL9219749

SCHEMBL9219749

c1coc(Cn2ccnc2)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 17/20 0.54
▸ CYP11B2 P19099 15/20 0.54
▸ CYP19A1 P11511 5/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ TBXAS1 P24557 1/20 0.53
▸ QPCT Q16769 1/20 0.53
▸ CYP4Z1 Q86W10 1/20 0.53
▸ QPCTL Q9NXS2 1/20 0.53
▸ CYP17A1 P05093 1/20 0.47
▸ CYP2A6 P11509 1/20 0.47
▸ CYP2B6 P20813 1/20 0.47

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
SCHEMBL1532637 0.77 TSHR (0.47) POLBMAPT
SCHEMBL16516757 0.75 SMN1; SMN2 (0.57) CYP1A2CYP2D6MAPTTBXAS1QPCT
SCHEMBL10929720 0.75 AGER (0.48) CYP19A1POLB
SCHEMBL2105200 0.74 CYP11B1 (0.52) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL21415903 0.73 CYP11B1 (0.48) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL16523578 0.73 MEN1 (0.46) CYP19A1CYP1A2POLBCYP3A4CYP2D6
SCHEMBL29107867 0.71 CYP11B1 (0.60) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL15179016 0.71 CYP11B1 (0.76) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL30523908 0.71 CYP11B1 (0.76) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL30523909 0.71 CYP11B1 (0.76) CYP11B1CYP11B2CYP19A1CYP1A2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1117090-C N-acyl-2-substituted-4-(benzimidazolyl-or imidazopyridinyl-substituted pesidues)-piperidines as tachykinin antagonists JANSSEN PHARMACEUTICA NV (BE) 2003-08-06 — — CN disclosed
CN-1206414-A N-acyl-2-substituted-4- (benzimidazolyl-or imidazopyridinyl-substituted residues) piperidines as tachykinin antagonists JANSSEN PHARMACEUTICA NV (BE) 1999-01-27 — — CN disclosed
EP-0492178-B1 Naphthoic acid derivative FUJIREBIO KK (JP) 1995-10-04 — — EP disclosed
US-5324728-A Lipoxygenase inhibiting antiallergens FUJIREBIO INC. (JP) 1994-06-28 — — US disclosed
EP-0492178-A2 Naphthoic acid derivative FUJIREBIO INC. (JP) 1992-07-01 — — EP disclosed
US-4528195-A Imidazole derivatives and salts thereof, their synthesis and intermediates and pharmaceutical formulations THOROGOOD PETER B (GB) 1985-07-09 — — US disclosed
EP-0003560-B1 IMIDAZOLE DERIVATIVES AND SALTS THEREOF, THEIR SYNTHESIS, AND PHARMACEUTICAL FORMULATIONS THE WELLCOME FOUNDATION LIMITED (GB) 1984-05-02 — — EP disclosed
US-4416895-A ANTICOAGULANTS, ANTISHOCK AGENTS BURROUGHS WELLCOME CO. (US) 1983-11-22 — — US disclosed
EP-0003560-A2 Imidazole derivatives and salts thereof, their synthesis, and pharmaceutical formulations THE WELLCOME FOUNDATION LIMITED (GB) 1979-08-22 — — EP disclosed
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