SCHEMBL9410338

SCHEMBL9410338

COCC(O)CN1C(C)(C)CC(OC(=O)c2ccccc2)CC1(C)C

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
GAA P10253 1/20 0.51
KMT2A Q03164 3/20 0.49
CHRNA7 P36544 5/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
MEN1 O00255 1/20 0.42
CYP2D6 P10635 1/20 0.41
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 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
SCHEMBL11175662 0.91 TSHR (0.55) TSHRGAAKMT2ACHRNA7HTR3E
SCHEMBL9359743 0.89 TSHR (0.53) TSHRGAAKMT2ACYP2D6
SCHEMBL9410280 0.88 TSHR (0.57) TSHRGAAKMT2ACHRNA7HTR3E
SCHEMBL11181676 0.86 TSHR (0.50) TSHRGAAKMT2ACHRNA7HTR3E
SCHEMBL9410270 0.85 KMT2A (0.52) TSHRGAAKMT2ACHRNA7HTR3E
SCHEMBL9410283 0.85 TSHR (0.49) TSHRGAAKMT2ACHRNA7HTR3E
SCHEMBL9410281 0.85 KMT2A (0.57) TSHRGAAKMT2AMEN1CYP2D6
SCHEMBL9410354 0.84 TSHR (0.57) TSHRGAAKMT2ACHRNA7HTR3E
SCHEMBL11186095 0.83 KMT2A (0.52) TSHRGAAKMT2AMEN1CYP2D6
SCHEMBL9410279 0.83 TSHR (0.47) TSHRGAAKMT2ACHRNA7HTR3E

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-1091128-A Piperidine derivative SANKYO CO (JP) 1994-08-24 CN disclosed
EP-0583971-A1 Piperidine derivatives SANKYO COMPANY LIMITED (JP) 1994-02-23 EP disclosed