SCHEMBL31020007

SCHEMBL31020007

CC(C)(C)C1c2ccccc2CCN1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 1/20 0.48
ACE P12821 2/20 0.46
TRPM8 Q7Z2W7 2/20 0.44
DRD1 P21728 1/20 0.44
HHAT Q5VTY9 3/20 0.43
PRCP P42785 1/20 0.42
CYP2D6 P10635 1/20 0.42
NOTUM Q6P988 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
RIPK1 Q13546 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
SCHEMBL22366344 1.00 MTNR1B (0.48) MTNR1BACETRPM8DRD1HHAT
SCHEMBL28512675 0.86 ACE (0.45) ACECYP2D6NOTUMRIPK1
SCHEMBL9511054 0.83 ACE (0.45) MTNR1BACETRPM8DRD1HHAT
SCHEMBL4032578 0.81 ESR1 (0.51) DRD1
SCHEMBL14575206 0.80 NR1H2 (0.45) MTNR1BACETRPM8DRD1
SCHEMBL2123936 0.80 CAMK2A (0.43)
SCHEMBL30997677 0.80 NR1H2 (0.45) MTNR1BACETRPM8DRD1
SCHEMBL20768178 0.80 DPP4 (0.39) CYP2D6NPSR1
SCHEMBL31546529 0.80 CAMK2A (0.43)
SCHEMBL3664252 0.80 NR1H2 (0.45) MTNR1BDRD1

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