Sugi Predict

Sugi Predict / Compounds / SCHEMBL12468930

SCHEMBL12468930

SCHEMBL12468930

CCCN(CCC)c1ccc[c]c1C

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 16/20 0.35
▸ ALDH3A1 P30838 2/20 0.33
▸ ALDH1A3 P47895 2/20 0.33
▸ ALDH1A1 P00352 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
SCHEMBL27658949 0.89 CRHR1 (0.34) CRHR1ALDH1A1
SCHEMBL3754251 0.84 TSHR (0.31) ALDH1A3ALDH1A1
SCHEMBL2973328 0.79 CRHR1 (0.33) CRHR1ALDH3A1ALDH1A3ALDH1A1
SCHEMBL2974395 0.79 ALDH3A1 (0.39) CRHR1ALDH3A1ALDH1A3ALDH1A1
SCHEMBL2974959 0.79 ALDH3A1 (0.33) CRHR1ALDH3A1ALDH1A3ALDH1A1
SCHEMBL2961723 0.79 ALDH3A1 (0.39) CRHR1ALDH3A1ALDH1A3ALDH1A1
SCHEMBL4014825 0.75 CRHR1 (0.37) CRHR1
SCHEMBL7150417 0.74 TP53 (0.41) CRHR1ALDH3A1ALDH1A3ALDH1A1
SCHEMBL11082907 0.73 ESR1 (0.33) ALDH3A1ALDH1A3ALDH1A1
SCHEMBL162717 0.73 MAPT (0.39) ALDH1A1

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
EP-2627324-A2 SUBSTITUTED BENZAMIDES AND THEIR USES The Board of Trustees of The Leland Stanford Junior University (US) 2013-08-21 — — EP disclosed
WO-2012051117-A2 SUBSTITUTED BENZAMIDES AND THEIR USES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-04-19 — — WO disclosed