SCHEMBL818680

SCHEMBL818680

C=C(C)c1cccc(C2CCCNC2)c1C

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 3/20 0.41
▸ HTR2A P28223 3/20 0.41
▸ DRD2 P14416 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ PARP1 P09874 1/20 0.39

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
SCHEMBL817651 0.92 HTR2C (0.50) HTR2C
SCHEMBL817794 0.87 HTR2A (0.43) HTR2CHTR2A
SCHEMBL817945 0.83 HTR2A (0.41) HTR2CHTR2ADRD2DRD3PARP1
SCHEMBL817949 0.82 HTR2C (0.61) HTR2C
SCHEMBL9310414 0.79 HTR2C (0.65) HTR2CHTR2ADRD2DRD3
SCHEMBL22132285 0.79 HTR2C (0.65) HTR2CHTR2ADRD2DRD3
SCHEMBL817723 0.78 HTR2C (0.45) HTR2C
SCHEMBL22136718 0.77 HTR2C (0.50) HTR2CHTR2ADRD2DRD3
SCHEMBL816886 0.74 CA1 (0.31) HTR2C
SCHEMBL817590 0.74 HTR2C (0.37) HTR2CPARP1

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
US-20110275756-A1 CONJUGATED DIENE POLYMER, CONJUGATED DIENE POLYMER COMPOSITION, AND METHOD FOR PRODUCING CONJUGATED DIENE POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-10 — — US disclosed
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