SCHEMBL13618343

SCHEMBL13618343

Cc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.66
PDE5A O76074 6/20 0.61
ALDH1A1 P00352 4/20 0.55
CYP1A2 P05177 4/20 0.52
CYP3A4 P08684 3/20 0.52
RAB9A P51151 3/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
CYP2D6 P10635 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
HSD17B10 Q99714 2/20 0.52
KDM4E B2RXH2 2/20 0.52
LMNA P02545 2/20 0.52
HPGD P15428 2/20 0.52
NPC1 O15118 2/20 0.52
GMNN O75496 1/20 0.52
TP53 P04637 1/20 0.52
MAPT P10636 1/20 0.52
ALOX15 P16050 1/20 0.52

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
SCHEMBL4478716 0.95 F2RL3 (0.60) F2RL3PDE5AALDH1A1CYP1A2CYP3A4
SCHEMBL4483522 0.90 CYP1A2 (0.56) F2RL3PDE5AALDH1A1CYP1A2CYP3A4
SCHEMBL3621787 0.89 ALDH1A1 (0.67) F2RL3PDE5AALDH1A1CYP1A2CYP3A4
SCHEMBL27669280 0.89 F2RL3 (0.55) F2RL3PDE5AALDH1A1CYP1A2CYP3A4
SCHEMBL3840013 0.88 MAPT (0.57) F2RL3PDE5AALDH1A1CYP1A2CYP3A4
SCHEMBL4478119 0.87 CNR2 (0.59) F2RL3PDE5AALDH1A1CYP1A2CYP3A4
SCHEMBL4028940 0.85 ESR1 (0.69) F2RL3PDE5AALDH1A1CYP1A2CYP3A4
SCHEMBL28982383 0.85 ALDH1A1 (0.71) F2RL3PDE5AALDH1A1CYP1A2CYP3A4
SCHEMBL3082745 0.84 F2RL3 (0.61) F2RL3PDE5AALDH1A1CYP1A2CYP3A4
SCHEMBL3843948 0.84 F2RL3 (0.53) F2RL3PDE5AALDH1A1NPSR1SMN1; SMN2

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-1425011-B1 ENHANCEMENT OF LEARNING AND MEMORY AND TREATMENT OF AMNESIA CARLSBAD TECHNOLOGY INC (US) 2009-11-04 EP disclosed
EP-1331223-B1 Method of treating sepsis YUNG SHIN PHARMACEUTICAL IND (TW) 2008-02-13 EP disclosed