SCHEMBL7360410

SCHEMBL7360410

CCN(c1ccncc1)c1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.52
CHKA P35790 1/20 0.52
SLC6A2 P23975 2/20 0.41
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NR3C2 P08235 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
RAB9A P51151 1/20 0.35
HBB P68871 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL24620298 0.91 MAPT (0.47) CHRM5CHKASLC6A2MAPTCRHBP
SCHEMBL27877152 0.80 POLB (0.53) MAPTCRHBPCRHR2MEN1NPC1
SCHEMBL49134 0.79 CHRM5 (0.52) CHRM5CHKASLC6A2MAPTSMN1; SMN2
SCHEMBL1036118 0.77 CHRM5 (0.56) CHRM5CHKASLC6A2MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7861604 0.77 ALDH1A1 (0.50) CHRM5CHKASLC6A2MAPTSMN1; SMN2
SCHEMBL3416208 0.74 CHRM5 (0.58) CHRM5CHKASLC6A2MAPTSMN1; SMN2
SCHEMBL11096837 0.73 CHRM5 (0.73) CHRM5CHKASLC6A2MAPTSMN1; SMN2
SCHEMBL409370 0.72 NR3C2 (0.57) SLC6A2MAPTCRHBPCRHR2NPSR1
Methyl Alcohol SCHEMBL28737572 0.72 CHRM5 (0.57) CHRM5CHKASLC6A2MAPTSMN1; SMN2
SCHEMBL6567347 0.72 NR3C2 (0.57) SLC6A2MAPTCRHBPCRHR2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6037343-A Fibrinogen receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-03-14 US disclosed
EP-0796098-A4 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1998-04-29 EP disclosed
EP-0796098-A1 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-09-24 EP disclosed
WO-1996019223-A1 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-06-27 WO disclosed