SCHEMBL172995

SCHEMBL172995

CCCN(CC)CCCNC(=O)c1cccc(-c2cccc(CN)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 5/20 0.56
▸ DRD2 P14416 1/20 0.51
▸ DRD4 P21917 1/20 0.51
▸ DRD3 P35462 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ ACKR3 P25106 4/20 0.48
▸ TMEM97 Q5BJF2 3/20 0.47
▸ SIGMAR1 Q99720 3/20 0.47
▸ APP P05067 1/20 0.46
▸ F11 P03951 1/20 0.44
▸ TPSB2 P20231 1/20 0.44
▸ SUCNR1 Q9BXA5 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ ERN1 O75460 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
SCHEMBL173049 0.85 CFD (0.62) CFDSMN1; SMN2TMEM97SIGMAR1F11
SCHEMBL19634734 0.80 ALDH1A1 (0.58) CFDSMN1; SMN2TMEM97SIGMAR1ALDH1A1
SCHEMBL13875528 0.78 SMN1; SMN2 (0.69) SMN1; SMN2TMEM97SIGMAR1APPALDH1A1
SCHEMBL30086010 0.77 MAPT (0.75) —
SCHEMBL24619547 0.77 MAPT (0.75) —
SCHEMBL13060801 0.77 FYN (0.55) SMN1; SMN2TMEM97SIGMAR1ALDH1A1
SCHEMBL1854346 0.76 SMN1; SMN2 (0.66) CFDSMN1; SMN2
SCHEMBL1638071 0.75 DRD2 (0.68) DRD2DRD4DRD3SMN1; SMN2TMEM97
Formic Acid SCHEMBL29924804 0.75 MAPT (0.70) —
SCHEMBL11422348 0.74 AOC3 (0.74) —

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
EP-1768966-B1 COUMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS INFINITY DISCOVERY INC (US) 2012-03-07 — — EP disclosed
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