SCHEMBL29660414

SCHEMBL29660414

OC1CCc2c1ccc(Cl)c2Br

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.34
OPRM1 P35372 2/20 0.32
OPRL1 P41146 2/20 0.32
CYP11B1 P15538 2/20 0.31
CYP11B2 P19099 2/20 0.31
POLL Q9UGP5 1/20 0.31
FNTA P49354 5/20 0.31
FNTB P49356 5/20 0.31
STS P08842 1/20 0.30
S1PR1 P21453 3/20 0.30
S1PR2 O95136 1/20 0.30
S1PR4 O95977 1/20 0.30
S1PR3 Q99500 1/20 0.30
S1PR5 Q9H228 1/20 0.30

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
SCHEMBL15287132 1.00 MAP3K14 (0.34) MAP3K14OPRM1OPRL1CYP11B1CYP11B2
SCHEMBL11352700 0.81 NOTUM (0.37) MAP3K14OPRM1OPRL1CYP11B1CYP11B2
SCHEMBL22102575 0.78 OPRM1 (0.34) MAP3K14OPRM1OPRL1CYP11B1CYP11B2
SCHEMBL22102913 0.78 OPRL1 (0.37) MAP3K14OPRM1OPRL1CYP11B1CYP11B2
SCHEMBL22102579 0.78 MAP3K14 (0.34) MAP3K14OPRM1OPRL1CYP11B1CYP11B2
SCHEMBL22103239 0.78 MAP3K14 (0.34) MAP3K14OPRM1OPRL1CYP11B1CYP11B2
SCHEMBL15287108 0.78 CYP11B1 (0.37) MAP3K14CYP11B1CYP11B2POLLSTS
SCHEMBL15021555 0.78 CYP11B1 (0.37) MAP3K14CYP11B1CYP11B2POLLSTS
SCHEMBL35211487 0.78 CYP11B1 (0.37) MAP3K14CYP11B1CYP11B2POLLSTS
SCHEMBL1508379 0.77 HTR2C (0.45) MAP3K14OPRM1OPRL1POLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119497712-A Indane derivatives as MALT1 inhibitors 希四克斯探索有限公司 2025-02-21 CN disclosed
CN-113195492-B Novel compound with three-fused ring structure, preparation method and application thereof 信达生物制药(苏州)有限公司 2022-07-08 CN disclosed