SCHEMBL8103890

SCHEMBL8103890

Clc1ccc2c(C3CCN(N4CCCCC4)CC3)c[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.53
ADRA1D P25100 6/20 0.52
OPRM1 P35372 1/20 0.50
OPRK1 P41145 1/20 0.50
OPRL1 P41146 1/20 0.50
IDO1 P14902 1/20 0.46
APP P05067 2/20 0.46
DRD2 P14416 1/20 0.45
AVPR1A P37288 1/20 0.45

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
SCHEMBL8109749 0.89 OPRM1 (0.62) SLC6A4ADRA1DOPRM1OPRK1OPRL1
SCHEMBL4670916 0.83 APP (0.63) SLC6A4OPRM1OPRK1OPRL1APP
Hydrochloric Acid SCHEMBL7866348 0.82 APP (0.62) SLC6A4ADRA1DOPRM1OPRK1OPRL1
SCHEMBL27573221 0.79 AVPR1A (0.60) SLC6A4OPRM1OPRK1OPRL1IDO1
SCHEMBL4675208 0.79 HTR2C (0.62) SLC6A4OPRM1OPRK1OPRL1IDO1
SCHEMBL8103889 0.78 SLC6A4 (0.51) SLC6A4ADRA1DOPRM1OPRK1OPRL1
SCHEMBL18324824 0.78 SLC6A4 (0.53) SLC6A4OPRM1OPRK1OPRL1IDO1
SCHEMBL16801526 0.78 KDM4E (0.69) SLC6A4OPRM1OPRK1OPRL1IDO1
Hydrochloric Acid SCHEMBL7867871 0.77 HTR2C (0.63) SLC6A4OPRM1OPRK1OPRL1IDO1
SCHEMBL4675206 0.77 SLC6A4 (0.58) SLC6A4OPRM1OPRK1OPRL1IDO1

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-6143744-A Sulfamide-metalloprotease inhibitors SYNTEX (U.S.A.) INC. (US) 2000-11-07 US disclosed
US-6130220-A ENZYME INHIBITORS SYNTEX (USA) INC. (US) 2000-10-10 US disclosed