SCHEMBL21534848

SCHEMBL21534848

C=C(c1ccc(-c2ccc(CCC3CCN(CC(C)(C)F)CC3)cc2F)cc1)N1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.38
CHKA P35790 1/20 0.36
MCHR1 Q99705 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
ACHE P22303 1/20 0.34
MAOB P27338 3/20 0.33
MAOA P21397 1/20 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
SCHEMBL21534963 0.99 KDM1A (0.38) KDM1ACHKAMCHR1OPRM1OPRK1
SCHEMBL21535094 0.92 KDM1A (0.35) KDM1AOPRM1OPRK1ACHEMAOB
SCHEMBL21534901 0.91 ALDH1A1 (0.35) KDM1ACHKAACHE
SCHEMBL21534885 0.91 KDM1A (0.34) KDM1ACHKAACHEMAOBMAOA
SCHEMBL21534872 0.89 CHRM4 (0.35) KDM1ACHKAOPRM1OPRK1MAOB
SCHEMBL21535062 0.88 OPRM1 (0.36) KDM1ACHKAOPRM1OPRK1MAOB
SCHEMBL21534621 0.88 MAOB (0.39) MAOBMAOA
SCHEMBL21534972 0.87 MAOB (0.39) MAOBMAOA
SCHEMBL21534897 0.87 MCHR1 (0.39) KDM1ACHKAMCHR1OPRM1OPRK1
SCHEMBL21534891 0.86 OPRM1 (0.40) MCHR1OPRM1OPRK1MAOBMAOA

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
EP-2858986-B1 PIPERIDINE DERIVATIVES AS GPR119 AGONISTS CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2019-10-30 EP disclosed