SCHEMBL817533

SCHEMBL817533

C=Cc1ccccc1C1CCNC1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.43
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
SLC18A3 Q16572 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
HTR3A P46098 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
SCHEMBL816891 0.90 DRD2 (0.41) HTR2C
SCHEMBL818903 0.89 HTR2C (0.55) HTR2CSLC18A3SIGMAR1
SCHEMBL1663468 0.83 HTR2C (0.43) HTR2CCHRNB4CHRNA3
SCHEMBL28958240 0.79 ALDH1A1 (0.43) HTR2CCHRNB4CHRNA3
SCHEMBL28533805 0.77 HTR2C (0.57) HTR2CCHRNB4CHRNA3SLC18A3SIGMAR1
SCHEMBL27601204 0.76 ALDH1A1 (0.40) HTR2C
SCHEMBL27265017 0.74 MTNR1A (0.40) HTR2C
SCHEMBL164339 0.74 PTGDR2 (0.39) HTR2C
SCHEMBL5839494 0.73 HTR2C (0.47) HTR2CCHRNB4CHRNA3SLC18A3SIGMAR1
SCHEMBL22928263 0.73 HTR3A (0.52) HTR2CCHRNB4CHRNA3SLC18A3SIGMAR1

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
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
US-20110245398-A1 METHOD FOR PRODUCING CONJUGATED DIENE POLYMER COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-10-06 US disclosed