SCHEMBL21394779

SCHEMBL21394779

Cc1nccc(C(=O)Nc2ccc(Cc3cc(F)cc(C#N)c3)cn2)n1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 1/20 0.41
GRM5 P41594 4/20 0.39
GPR52 Q9Y2T5 1/20 0.37

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
SCHEMBL29356981 1.00 GPR6 (0.41) GPR6GRM5GPR52
SCHEMBL21394918 0.90 GRM5 (0.43) GRM5
SCHEMBL21394745 0.90 TMPRSS4 (0.39) GPR52
SCHEMBL21394714 0.89 GRM5 (0.45) GRM5
SCHEMBL21395179 0.84 GCK (0.42)
SCHEMBL21394938 0.84 TMPRSS4 (0.47)
SCHEMBL29353664 0.84 GRM4 (0.43) GPR6GRM5GPR52
SCHEMBL21395200 0.84 GRM4 (0.43) GPR6GRM5GPR52
SCHEMBL21394865 0.83 NR3C2 (0.47) GRM5GPR52
SCHEMBL29358065 0.83 NR3C2 (0.47) GRM5GPR52

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-118084800-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-118084801-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-112312913-B Compounds and uses thereof 詹森药业有限公司 2024-03-08 CN disclosed
CN-114174273-A Compounds and uses thereof 优曼尼蒂治疗公司 2022-03-11 CN disclosed
EP-3941908-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2022-01-26 EP disclosed
CN-112312913-A Compounds and uses thereof 优曼尼蒂治疗公司 2021-02-02 CN disclosed
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed