SCHEMBL9772412

SCHEMBL9772412

CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H]1c2ccccc2C[C@H]1N1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.58
SIGMAR1 Q99720 11/20 0.53
OPRK1 P41145 5/20 0.49
OPRM1 P35372 4/20 0.49
OPRD1 P41143 2/20 0.49
RAB9A P51151 1/20 0.43

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
Hydrochloric Acid SCHEMBL9772305 0.99 KMT2A (0.57) KMT2ASIGMAR1OPRK1OPRM1OPRD1
SCHEMBL7965510 0.90 SIGMAR1 (0.49) KMT2ASIGMAR1OPRK1OPRM1OPRD1
SCHEMBL9772435 0.90 SIGMAR1 (0.49) KMT2ASIGMAR1OPRK1OPRM1OPRD1
SCHEMBL5629252 0.88 SIGMAR1 (0.65) KMT2ASIGMAR1OPRK1OPRM1OPRD1
SCHEMBL6350169 0.88 SIGMAR1 (0.65) KMT2ASIGMAR1OPRK1OPRM1OPRD1
SCHEMBL6488821 0.87 SIGMAR1 (0.46) KMT2ASIGMAR1OPRK1OPRM1OPRD1
SCHEMBL6488818 0.87 SIGMAR1 (0.46) KMT2ASIGMAR1OPRK1OPRM1OPRD1
SCHEMBL7966344 0.84 SIGMAR1 (0.64) SIGMAR1OPRK1OPRM1OPRD1
SCHEMBL9644180 0.84 SIGMAR1 (0.64) SIGMAR1OPRK1OPRM1OPRD1
SCHEMBL9767727 0.82 SIGMAR1 (0.66) SIGMAR1OPRK1OPRM1OPRD1

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-5043347-A Indanes and analgesic compositions and methods thereof ROUSSEL UCLAF (FR) 1991-08-27 US disclosed