SCHEMBL7400980

SCHEMBL7400980

O=C(O)C(CN1CCN(c2ccncc2)CC1)N(Cc1ccccc1)C(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.44
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR1A P08908 7/20 0.41
DRD2 P14416 4/20 0.41
HRH1 P35367 1/20 0.40
KMT2A Q03164 1/20 0.39
DRD4 P21917 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL8637905 0.79 ITGB3 (0.43) HRH3SMN1; SMN2
SCHEMBL8637058 0.76 POLB (0.41) HRH3MAPTMAPK1SMN1; SMN2
SCHEMBL8637900 0.75 OPRD1 (0.42) HRH3SMN1; SMN2
SCHEMBL27446148 0.73 OPRD1 (0.44) HRH3MAPTMAPK1SMN1; SMN2KMT2A
SCHEMBL8637894 0.72 HRH3 (0.40) HRH3MAPTMAPK1SMN1; SMN2
SCHEMBL2327943 0.72 KMT2A (0.46) KMT2A
SCHEMBL7329226 0.72 PLOD2 (0.46) MAPTHTR1ADRD2
SCHEMBL7400975 0.71 HDAC1 (0.44) HRH3MAPTMAPK1SMN1; SMN2
SCHEMBL8656510 0.71 KMT2A (0.47) KMT2A
SCHEMBL8656502 0.71 KMT2A (0.47) KMT2A

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 6 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
US-5652242-A 3-METHYL-4-(4-(4-(4-PYRIDYL)PIPERAZIN-1-YL)PHENOXY)BURYIC ACID, AMIDE OR ESTER; INHIBITORS OF BINDING OF FIBRINOGEN TO GLYCOPROTEIN ZENECA LIMITED (GB) 1997-07-29 US disclosed
US-5556977-A ANTIAGGLOMERANTS FOR CELLS, ANTICOAGULANTS, ANTIISCHEMIC AGENTS USING PYRIDINYLPIPERAZINE DERIVATIVES ZENECA LIMITED (GB) 1996-09-17 US 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