SCHEMBL6847429

SCHEMBL6847429

OC1(c2ccccc2Br)CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.57
DRD2 P14416 2/20 0.43
OPRM1 P35372 6/20 0.39
OPRL1 P41146 4/20 0.38
OPRD1 P41143 3/20 0.38
OPRK1 P41145 3/20 0.38
HTR2A P28223 2/20 0.37
SLC6A2 P23975 1/20 0.37
HTR2C P28335 1/20 0.37
SLC6A4 P31645 1/20 0.37
TSHR P16473 1/20 0.34
PDK2 Q15119 1/20 0.34
BACE1 P56817 1/20 0.34
USP2 O75604 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL30062630 0.86 OPRL1 (0.42) SIGMAR1OPRM1OPRL1OPRD1OPRK1
SCHEMBL23232266 0.86 OPRL1 (0.42) SIGMAR1OPRM1OPRL1OPRD1OPRK1
SCHEMBL4704045 0.82 SIGMAR1 (0.48) SIGMAR1DRD2OPRM1OPRL1OPRD1
SCHEMBL4069650 0.82 OPRL1 (0.40) SIGMAR1OPRM1OPRL1OPRD1OPRK1
SCHEMBL23649271 0.82 OPRL1 (0.40) SIGMAR1OPRM1OPRL1OPRD1OPRK1
SCHEMBL1660350 0.82 SIGMAR1 (0.62) SIGMAR1DRD2OPRM1HTR2ASLC6A2
Hydrochloric Acid SCHEMBL10007651 0.80 SIGMAR1 (0.61) SIGMAR1DRD2OPRM1HTR2ASLC6A2
SCHEMBL11838166 0.80 PKM (0.41) SIGMAR1OPRM1OPRL1OPRD1OPRK1
SCHEMBL27201525 0.79 HTR2A (0.45) SIGMAR1DRD2OPRM1OPRL1OPRD1
SCHEMBL8193758 0.78 SIGMAR1 (0.50) SIGMAR1DRD2OPRM1

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-6768024-B1 CONTROLLING OBESITY, SEXUAL DYSFUNCTION OR INFLAMMATION LION BIOSCIENCE AG (DE) 2004-07-27 US disclosed
US-4016281-A Tetralone and indanone compounds MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-04-05 US disclosed