SCHEMBL9316236

SCHEMBL9316236

Cc1cc(I)ccc1N(C(=N)N)c1ccc(I)cc1C

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33

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
SCHEMBL4888186 0.81 TDP1 (0.40) PRSS1PRSS2PRSS3
SCHEMBL8767493 0.75 IDO1 (0.41)
SCHEMBL78987 0.72 SIGMAR1 (0.44) PRSS1PRSS2PRSS3
SCHEMBL11408727 0.72 SCN2A (0.32)
SCHEMBL636848 0.71 TDP1 (0.35) PRSS1PRSS2PRSS3
SCHEMBL9317579 0.71 SIGMAR1 (0.38)
Hydrochloric Acid SCHEMBL9316439 0.71 SIGMAR1 (0.40) PRSS1PRSS2PRSS3
SCHEMBL29768251 0.71 ESR1 (0.40)
SCHEMBL22292617 0.71 ESR1 (0.40)
Hydrochloric Acid SCHEMBL8745417 0.71 SIGMAR1 (0.43) PRSS1PRSS2PRSS3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0532642-A4 1994-04-27 EP disclosed
EP-0532642-A1 SUBSTITUTED GUANIDINES HAVING HIGH BINDING TO THE SIGMA RECEPTOR AND THE USE THEREOF STATE OF OREGON, acting through OREGON STATE BOARD OF HIGHER EDUCATION, acting for OREGON HEALTH SC. UNIV. AND UNIV. OF OREGON (US) 1993-03-24 EP disclosed
WO-1991018868-A1 SUBSTITUTED GUANIDINES HAVING HIGH BINDING TO THE SIGMA RECEPTOR AND THE USE THEREOF STATE OF OREGON, acting by and through the OREGON STATE BOARD OF HIGHER EDUCATION, acting for and onbehalf of the OREGON HEALTH SCIENCES UNIVERSITY (US) 1991-12-12 WO disclosed