SCHEMBL11023396

SCHEMBL11023396

C[C@@H](CBr)NCCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 16/20 0.70
OPRK1 P41145 1/20 0.58
ATM Q13315 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50

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
SCHEMBL19498788 0.82 SIGMAR1 (1.00) SIGMAR1OPRK1
SCHEMBL27830403 0.82 SIGMAR1 (1.00) SIGMAR1OPRK1
SCHEMBL9360922 0.82 SIGMAR1 (1.00) SIGMAR1OPRK1
SCHEMBL18435350 0.82 SIGMAR1 (0.72) SIGMAR1OPRK1ATMTAAR1
SCHEMBL19498803 0.82 OPRK1 (0.81) SIGMAR1OPRK1
SCHEMBL13995962 0.81 SIGMAR1 (0.76) SIGMAR1OPRK1ATMTAAR1
SCHEMBL4624995 0.81 SIGMAR1 (0.70) SIGMAR1OPRK1ATMTAAR1
SCHEMBL1148376 0.79 SIGMAR1 (0.68) SIGMAR1OPRK1ATMTAAR1
SCHEMBL20689709 0.79 SIGMAR1 (0.68) SIGMAR1OPRK1
SCHEMBL20689717 0.79 SIGMAR1 (0.68) SIGMAR1OPRK1

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
EP-0163948-A1 Process for producing an indoline IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 1985-12-11 EP disclosed