SCHEMBL7396359

SCHEMBL7396359

CCOC(=O)N1CCN(c2cn(Cc3ccccc3)c3cc(OC)ccc3c2=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.52
CNR2 P34972 1/20 0.52
ALDH1A1 P00352 5/20 0.48
LMNA P02545 4/20 0.48
GAA P10253 2/20 0.48
CHRM1 P11229 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
PLA2G2A P14555 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
OPRD1 P41143 2/20 0.44
OPRK1 P41145 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL7440853 0.82 CNR1 (0.52) CNR1CNR2ALDH1A1LMNACHRM1
SCHEMBL8635323 0.81 CNR1 (0.49) CNR1CNR2ALDH1A1LMNACHRM1
SCHEMBL7399588 0.73 METAP1 (0.45) CNR1CNR2ALDH1A1PLA2G2A
SCHEMBL7962690 0.68 PLA2G2A (0.74) ALDH1A1LMNAPLA2G2A
SCHEMBL7401051 0.68 DRD4 (0.42) LMNASMN1; SMN2PLA2G2A
SCHEMBL11093641 0.68 GAA (0.72) ALDH1A1LMNAGAASMN1; SMN2L3MBTL1
SCHEMBL8356932 0.68 LMNA (0.73) CNR1CNR2ALDH1A1LMNACHRM1
SCHEMBL11361199 0.67 ALDH1A1 (0.53) ALDH1A1LMNAGAASMN1; SMN2L3MBTL1
SCHEMBL7475308 0.67 ALDH1A1 (0.70) ALDH1A1GAASMN1; SMN2L3MBTL1POLB
SCHEMBL1548594 0.67 CHRM1 (0.76) ALDH1A1LMNACHRM1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-5563141-A INHIBIT CELL ADHESION FOR EXAMPLE, PLATELET AGGRE GATION ZENECA LIMITED (GB) 1996-10-08 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