SCHEMBL7364305

SCHEMBL7364305

COC(=O)CCN(Cc1ccccc1)c1ccc(N2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CETP P11597 11/20 0.46
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
RORC P51449 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40

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
SCHEMBL7329220 0.84 SLC2A1 (0.45)
SCHEMBL6555102 0.74 TDP1 (0.46) CETPNPC1RAB9A
SCHEMBL7400975 0.73 HDAC1 (0.44) ITGB3ITGA2B
SCHEMBL9023827 0.72 LSS (0.48) KMT2AITGB3ITGA2B
Hydrochloric Acid SCHEMBL8838086 0.71 TRPV1 (0.44) HTR1ADRD2ITGB3ITGA2B
SCHEMBL27443430 0.71 AOC3 (0.48) HTR1ADRD2ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8838061 0.70 HRH3 (0.53) MEN1KMT2ADRD2
SCHEMBL9100936 0.70 SMN1; SMN2 (0.48) RAB9AMEN1KMT2A
SCHEMBL7501490 0.69 DRD2 (0.56) HTR1ADRD2
SCHEMBL7329223 0.68 KHK (0.44) HTR1ADRD2

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-0691959-A1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-17 EP disclosed
WO-1994022834-A1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO disclosed