SCHEMBL7402995

SCHEMBL7402995

CCC(Oc1ccc(N2CCN(c3ccncc3)CC2)c(-c2ccccc2)c1)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 3/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 2/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
PRKD1 Q15139 2/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTPN1 P18031 1/20 0.39
ROCK2 O75116 1/20 0.39
HTR1A P08908 3/20 0.39
HTR7 P34969 3/20 0.39
HRH3 Q9Y5N1 1/20 0.39
GFER P55789 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
NPC1 O15118 1/20 0.39
DRD2 P14416 1/20 0.38
HTR6 P50406 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL7401777 0.91 PPARG (0.45) MEN1KMT2APOLBITGB3ITGA2B
SCHEMBL7330413 0.80 ITGB3 (0.47) ITGB3ITGA2BPRKD1ROCK2HTR1A
SCHEMBL7332012 0.79 HRH3 (0.48) KMT2AITGB3ITGA2BHTR1AHTR7
SCHEMBL7398346 0.78 SMN1; SMN2 (0.44) MEN1KMT2APOLBITGB3ITGA2B
SCHEMBL7330427 0.78 PPARG (0.45) ITGB3ITGA2BHTR1AHTR7HRH3
SCHEMBL7401164 0.77 HRH3 (0.42) MEN1KMT2APOLBITGB3ITGA2B
SCHEMBL7395114 0.77 SMN1; SMN2 (0.55) MEN1KMT2AITGB3ITGA2BTSHR
SCHEMBL7330409 0.77 ITGB3 (0.46) ITGB3ITGA2BPRKD1HTR1AHTR7
SCHEMBL7401781 0.76 HRH3 (0.51) ITGB3ITGA2BHRH3NPC1
SCHEMBL7392228 0.76 HRH3 (0.44) MEN1KMT2APOLBITGB3ITGA2B

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
EP-0691959-B1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LTD (GB) 1998-07-22 EP disclosed
EP-0825184-A1 Heterocyclic derivatives as platelet aggregation inhibitors ZENECA LIMITED (GB) 1998-02-25 EP disclosed
EP-0690847-A1 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-10 EP disclosed
WO-1994022835-A2 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO disclosed