SCHEMBL31285937

SCHEMBL31285937

Nc1ccccc1NC1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MLNR O43193 3/20 0.53
▸ HRH3 Q9Y5N1 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ ME2 P23368 1/20 0.50
▸ ME1 P48163 1/20 0.50
▸ ME3 Q16798 1/20 0.50
▸ SIGMAR1 Q99720 2/20 0.49
▸ CNR1 P21554 3/20 0.47
▸ TEAD1 P28347 1/20 0.47
▸ KDM1A O60341 1/20 0.47
▸ LIPE Q05469 1/20 0.45
▸ PTGS1 P23219 1/20 0.45
▸ EPHX2 P34913 3/20 0.45
▸ SYK P43405 1/20 0.44

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
SCHEMBL22588174 1.00 MLNR (0.53) MLNRHRH3POLBME2ME1
SCHEMBL22605825 0.89 MLNR (0.53) MLNRHRH3ME2ME1ME3
SCHEMBL22588324 0.89 KDM1A (0.45) MLNRPOLBKDM1A
SCHEMBL31285938 0.89 KDM1A (0.45) MLNRPOLBKDM1A
SCHEMBL22605589 0.88 MLNR (0.54) MLNRHRH3POLBME2ME1
SCHEMBL22587771 0.87 MLNR (0.52) MLNRHRH3POLBME2ME1
SCHEMBL28528419 0.87 SIGMAR1 (0.44) MLNRPOLBSIGMAR1TEAD1PTGS1
SCHEMBL22605540 0.86 POLB (0.53) MLNRHRH3POLBME2ME1
SCHEMBL22605523 0.85 MLNR (0.52) MLNRHRH3ME2ME1ME3
SCHEMBL22588179 0.85 MLNR (0.54) MLNRHRH3POLBME2ME1

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
CN-111848598-B Heterocyclic compound, application thereof and composition containing same 健艾仕生物医药有限公司 2024-12-10 — — CN disclosed
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