SCHEMBL817590

SCHEMBL817590

C=C(C)c1cccc(C2CCNC2)c1CC

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 4/20 0.37
▸ PARP1 P09874 1/20 0.35
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ SLC6A3 Q01959 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
SCHEMBL817945 0.92 HTR2A (0.41) HTR2CPARP1
SCHEMBL818793 0.92 HTR2C (0.45) HTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL817723 0.83 HTR2C (0.45) HTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL817651 0.82 HTR2C (0.50) HTR2C
SCHEMBL816985 0.79 ALDH1A1 (0.31) —
SCHEMBL817794 0.74 HTR2A (0.43) HTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL818680 0.74 HTR2C (0.41) HTR2CPARP1
SCHEMBL10405257 0.73 HTR2C (0.44) HTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL817421 0.73 HTR2C (0.56) HTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL817949 0.73 HTR2C (0.61) HTR2C

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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