SCHEMBL17179331

SCHEMBL17179331

O=Nc1ccc2c(C3Nc4ccccc4C34CCCCC4)c[nH]c2c1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.32
GAA P10253 2/20 0.32
SI P14410 2/20 0.32
MGAM2 Q2M2H8 2/20 0.32
AR P10275 1/20 0.32
AVPR1A P37288 1/20 0.31

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
SCHEMBL17179336 0.84 MGAM (0.34) MGAMGAASIMGAM2AR
SCHEMBL17179252 0.83 AR (0.46) MGAMGAASIMGAM2AR
SCHEMBL17179352 0.77 IDO1 (0.43) MGAMGAASIMGAM2AR
SCHEMBL17179329 0.77 IMPDH2 (0.46)
SCHEMBL17179439 0.77 GRIN1 (0.40)
SCHEMBL18421860 0.73 OPRL1 (0.42)
SCHEMBL17179333 0.72 BCHE (0.33)
SCHEMBL17179279 0.71 BRPF1 (0.36) AR
SCHEMBL21420153 0.65 IDO1 (0.47) MGAMGAASIMGAM2AR
SCHEMBL18418450 0.65 IDO1 (0.47) MGAMGAASIMGAM2AR

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
WO-2015154169-A1 BINDING FUNCTION3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2015-10-15 WO disclosed