SCHEMBL29923337

SCHEMBL29923337

COc1cnccc1-c1cccc2c1OCC[C@H]2CN(C)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 10/20 0.41
MAPT P10636 1/20 0.34
GPBAR1 Q8TDU6 2/20 0.34
KDM6B O15054 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
ROCK2 O75116 1/20 0.33
HTR1A P08908 1/20 0.33
BUB1 O43683 2/20 0.33

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
SCHEMBL27214570 1.00 KDM4C (0.41) KDM4CMAPTGPBAR1KDM6BPTGDR2
SCHEMBL29923235 0.90 KDM4C (0.36) KDM4CKDM6B
SCHEMBL27214539 0.90 KDM4C (0.36) KDM4CKDM6B
SCHEMBL29923145 0.86 GPR119 (0.37) KDM4CKDM6B
SCHEMBL29923339 0.86 GPR119 (0.37) KDM4CKDM6B
SCHEMBL27231219 0.86 BRD4 (0.34) KDM4CROCK2BUB1
SCHEMBL27214554 0.86 BRD4 (0.34) KDM4CROCK2BUB1
SCHEMBL27214590 0.86 BRD4 (0.34) KDM4CROCK2BUB1
SCHEMBL29923543 0.84 KDM4C (0.34) KDM4CKDM6B
SCHEMBL27231197 0.84 KDM4C (0.34) KDM4CKDM6B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022217232-A1 CHROMANS AND BENZOFURANS AS 5-HT1A AND TAAR1 AGONISTS SUNOVION PHARMACEUTICALS INC. (US) 2022-10-13 WO disclosed