SCHEMBL7912606

SCHEMBL7912606

CC1Cc2ccccc2C1c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.49
OPRM1 P35372 5/20 0.47
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
HTR2B P41595 2/20 0.45
HRH3 Q9Y5N1 2/20 0.45
OPRK1 P41145 1/20 0.44

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
SCHEMBL11548815 0.89 SIGMAR1 (0.46) SIGMAR1OPRM1HTR2AHTR2CHTR2B
SCHEMBL14488850 0.85 HTR2A (0.49) SIGMAR1OPRM1HTR2AHTR2CHTR2B
SCHEMBL8527088 0.85 OPRM1 (0.42) SIGMAR1OPRM1
SCHEMBL14489160 0.85 OPRM1 (0.42) SIGMAR1OPRM1
SCHEMBL14489184 0.83 GID4 (0.50) OPRM1
SCHEMBL14489450 0.79 TRPM5 (0.49) HTR2AHTR2CHTR2BHRH3
SCHEMBL14488787 0.79 OPRM1 (0.48) OPRM1HTR2AOPRK1
SCHEMBL14489203 0.79 DRD5 (0.38)
SCHEMBL14555192 0.77 CYP11B2 (0.43) SIGMAR1HTR2AHTR2CHTR2BHRH3
SCHEMBL14489223 0.77 SLC22A12 (0.59) SIGMAR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3939095-A PHENYLINDANES, ADDITION COPOLYMERS BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) 1976-02-17 US claimed
US-6197893-B1 REMARKABLY IMPROVING THE STABILITY OF A DISPERSION SYSTEM SUCH AS A COAL/WATER SLURRY. LION CORPORATION (JP) 2001-03-06 US disclosed
US-5328491-A Method for dispersing and stabilizing a coal/water slurry using a polystyrenesulfonate LION CORPORATION (JP) 1994-07-12 US disclosed
US-3939095-A PHENYLINDANES, ADDITION COPOLYMERS BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) 1976-02-17 US disclosed