SCHEMBL8019723

SCHEMBL8019723

O=C(O)C[C@@]12CN(Cc3ccccc3)C[C@@H]1c1ccccc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.43
S1PR1 P21453 1/20 0.41
S1PR5 Q9H228 1/20 0.41
OPRM1 P35372 2/20 0.40
OPRK1 P41145 2/20 0.40
EBP Q15125 1/20 0.40
SLC18A3 Q16572 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TBXA2R P21731 1/20 0.39
OPRD1 P41143 1/20 0.39
FUCA1 P04066 2/20 0.39
ARG1 P05089 1/20 0.39
ARG2 P78540 1/20 0.39

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
SCHEMBL8019721 1.00 SIGMAR1 (0.43) SIGMAR1S1PR1S1PR5OPRM1OPRK1
SCHEMBL7491471 0.85 SIGMAR1 (0.47) SIGMAR1OPRM1OPRK1SLC18A3OPRD1
SCHEMBL7491948 0.83 SIGMAR1 (0.46) SIGMAR1OPRM1OPRK1OPRD1FUCA1
SCHEMBL8022956 0.83 SIGMAR1 (0.46) SIGMAR1OPRM1OPRK1OPRD1FUCA1
SCHEMBL7491954 0.83 SIGMAR1 (0.43) SIGMAR1OPRM1OPRK1EBPSLC18A3
SCHEMBL7484788 0.80 SIGMAR1 (0.47) SIGMAR1OPRM1OPRK1SLC18A3OPRD1
SCHEMBL7480993 0.77 SIGMAR1 (0.42) SIGMAR1S1PR1S1PR5OPRM1OPRK1
SCHEMBL7565511 0.74 SIGMAR1 (0.41) SIGMAR1ALDH1A1
SCHEMBL7484214 0.72 SIGMAR1 (0.42) SIGMAR1OPRM1OPRK1OPRD1FUCA1
SCHEMBL11625384 0.68 SIGMAR1 (0.39) SIGMAR1OPRM1OPRK1EBPSLC18A3

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-6153640-A FOR TREATING DEPRESSION, PANIC ATTACKS, OBSESSIVE-COMPULSIVE DISORDERS, PHOBIAS, IMPULSIVE DISORDERS, DRUG ABUSE OR ANXIETY ADIR ET COMPAGNIE (FR) 2000-11-28 US disclosed