SCHEMBL31020006

SCHEMBL31020006

Cc1cc(F)cc2c1CCNC2

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PNMT P11086 6/20 0.41
HTR6 P50406 1/20 0.38
CD44 P16070 2/20 0.37
MAOB P27338 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
ASIC3 Q9UHC3 1/20 0.34

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
SCHEMBL25244698 1.00 PNMT (0.41) PNMTHTR6CD44MAOBHTR2C
SCHEMBL19684582 0.85 PNMT (0.44) PNMTHTR6CD44MAOBHTR2C
SCHEMBL16402066 0.82 CD44 (0.40) PNMTCD44MAOBHTR2CADRA2A
SCHEMBL30014809 0.82 CD44 (0.40) PNMTCD44MAOBHTR2CADRA2A
SCHEMBL20439975 0.81 HTR2C (0.44) PNMTCD44MAOBHTR2CADRA2A
SCHEMBL12968862 0.79 ASIC3 (0.43) PNMTHTR6CD44HTR2CASIC3
SCHEMBL29782809 0.78 PNMT (0.46) PNMTCD44MAOBHTR2CADRA2A
SCHEMBL17699714 0.78 PNMT (0.46) PNMTCD44MAOBHTR2CADRA2A
SCHEMBL20425892 0.78 PNMT (0.50) PNMTCD44MAOBHTR2CADRA2A
SCHEMBL29507236 0.78 PNMT (0.50) PNMTCD44MAOBHTR2CADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119948023-A Regulator containing piperidine polycyclic derivative, preparation method and application thereof 上海翰森生物医药科技有限公司 2025-05-06 CN disclosed
CN-118451079-A Benzopiperidine derivative modulators, methods of preparation and uses thereof 上海翰森生物医药科技有限公司 2024-08-06 CN disclosed