SCHEMBL8938037

SCHEMBL8938037

Cc1ccc(C)c(C(Br)c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.40
BRD4 O60885 1/20 0.40
SLC6A4 P31645 2/20 0.38
TACR1 P25103 1/20 0.38
ESR1 P03372 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
MAPT P10636 1/20 0.38
CHRM1 P11229 1/20 0.38
KCNE1 P15382 1/20 0.38
CHRM3 P20309 1/20 0.38
PTGS1 P23219 1/20 0.38
HRH2 P25021 1/20 0.38
HTR2A P28223 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
OPRK1 P41145 1/20 0.38
KCNQ1 P51787 1/20 0.38

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
SCHEMBL1773371 0.82 ALDH1A1 (0.47) LMNASLC6A4MAPTKCNH2SLC6A2
SCHEMBL1641150 0.79 ACP3 (0.48) LMNASLC6A4ESR1CHRM2CHRM4
SCHEMBL444327 0.78 TYR (0.46) HTTLMNABRD4SLC6A4TACR1
SCHEMBL29486495 0.78 TYR (0.46) HTTLMNABRD4SLC6A4TACR1
SCHEMBL8927063 0.78 CSNK2A1 (0.43) HTTLMNABRD4KMT2ANPSR1
SCHEMBL23934953 0.77 TACR1 (0.44) HTTLMNABRD4SLC6A4TACR1
SCHEMBL14509733 0.77 HTT (0.49) HTTLMNABRD4SLC6A4TACR1
SCHEMBL9644312 0.77 HTT (0.41) HTTLMNABRD4SLC6A4TACR1
SCHEMBL11045593 0.77 BRD4 (0.43) HTTLMNABRD4SLC6A4TACR1
SCHEMBL14509731 0.77 HTT (0.41) HTTLMNABRD4SLC6A4TACR1

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-5508273-A ARALKYLPHOSPHONATES FOR OSTEOPOROSIS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-04-16 US disclosed