SCHEMBL29617612

SCHEMBL29617612

COC(=O)C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)CN(Cc2ccc(Cl)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.41
OPRL1 P41146 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
KDM4E B2RXH2 2/20 0.41
KCNH2 Q12809 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL29087755 0.96 KDM4E (0.43) OPRL1CHRM2CHRM5CHRM1CHRM3
SCHEMBL29617620 0.96 KDM4E (0.43) OPRL1CHRM2CHRM5CHRM1CHRM3
SCHEMBL29087798 0.92 CHRM2 (0.41) OPRL1CHRM2CHRM5CHRM1CHRM3
SCHEMBL30646810 0.92 CHRM2 (0.41) OPRL1CHRM2CHRM5CHRM1CHRM3
SCHEMBL29087709 0.91 PRKAA2 (0.48) KCNH2POLBMAPTCACNA1G
SCHEMBL29617624 0.91 PRKAA2 (0.48) KCNH2POLBMAPTCACNA1G
SCHEMBL29617597 0.88 CHRM2 (0.39) OPRL1CHRM2CHRM5CHRM1CHRM3
SCHEMBL30646794 0.87 PSEN1 (0.48) OPRL1CHRM2CHRM5CHRM1CHRM3
SCHEMBL29087732 0.87 PSEN1 (0.48) OPRL1CHRM2CHRM5CHRM1CHRM3
SCHEMBL29087735 0.87 PSEN1 (0.48) OPRL1CHRM2CHRM5CHRM1CHRM3

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
EP-4247374-A1 SMALL MOLECULE COMPOUNDS AND COMPOSITIONS Telo Therapeutics, Inc. (US) 2023-09-27 EP disclosed
CN-116710431-A Small molecule compounds and compositions 泰洛治疗公司 2023-09-05 CN disclosed
WO-2022109209-A1 SMALL MOLECULE COMPOUNDS AND COMPOSITIONS TELO THERAPEUTICS, INC. (US) 2022-05-27 WO disclosed