SCHEMBL7324874

SCHEMBL7324874

O=C1CN(c2ccncc2)CCN1c1ccc(O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.41
EED O75530 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
AKR1C3 P42330 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
PKM P14618 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GAA P10253 4/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
ADRB2 P07550 1/20 0.38
NCF1 P14598 1/20 0.38
PLD1 Q13393 1/20 0.38
KCNH2 Q12809 1/20 0.37
ROCK2 O75116 1/20 0.37
DRD2 P14416 1/20 0.37
GFER P55789 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL7334978 0.80 CHKA (0.61) CHKASMN1; SMN2AKR1C3KDM4EALDH1A1
SCHEMBL8634185 0.78 GAA (0.43) CHKAEEDSMN1; SMN2ALDH1A1GAA
SCHEMBL7332462 0.77 GRM5 (0.47) SMN1; SMN2ALDH1A1MAPTPKMKCNH2
SCHEMBL7335391 0.75 HRH3 (0.50) SMN1; SMN2MAPTKCNH2
SCHEMBL3557930 0.72 SLC6A2 (0.45) CHKAEEDROCK2DRD2
SCHEMBL10498691 0.70 MAPT (0.49) SMN1; SMN2KDM4EALDH1A1MAPTPKM
SCHEMBL4240116 0.69 KMT2A (0.53) SMN1; SMN2AKR1C3KDM4EALDH1A1MAPT
SCHEMBL23008892 0.69 SMN1; SMN2 (0.75) SMN1; SMN2AKR1C3ALDH1A1MAPTTDP1
SCHEMBL28112415 0.68 CHKA (0.80) CHKAEEDSMN1; SMN2AKR1C3KDM4E
SCHEMBL7041242 0.68 MAPT (0.68) KDM4EALDH1A1MAPTPKMTDP1

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 12 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
US-5753659-A ANTICOAGULANTS FOR BLOOD DISORDER, CARDIOVASCULAR DISORDER, THROMBOSIS, ZENECA LIMITED (GB) 1998-05-19 US disclosed
US-5750754-A TERTIARY BUTYL 3-METHYL-4-SUBSTITUTED BUTYRATE; CHEMICAL INTERMEDIATES FOR ANTICAOGULANT DRUGS ZENECA LIMITED (GB) 1998-05-12 US disclosed
US-5728701-A INHIBIT PLATELET AGGREGATION ZENECA LIMITED (GB) 1998-03-17 US 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-5563141-A INHIBIT CELL ADHESION FOR EXAMPLE, PLATELET AGGRE GATION ZENECA LIMITED (GB) 1996-10-08 US disclosed
US-5556977-A ANTIAGGLOMERANTS FOR CELLS, ANTICOAGULANTS, ANTIISCHEMIC AGENTS USING PYRIDINYLPIPERAZINE DERIVATIVES ZENECA LIMITED (GB) 1996-09-17 US disclosed
EP-0691959-A1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-17 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
WO-1994022834-A1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO disclosed