SCHEMBL7375780

SCHEMBL7375780

CCOC(=O)CN1CCC(C(=O)Nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c3ccccc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.46
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
CCR8 P51685 4/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
STS P08842 1/20 0.42
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 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
SCHEMBL29264324 0.79 CCR8 (0.45) BACE1CHRM2CHRM4CHRM1CHRM3
SCHEMBL19284731 0.75 CCR8 (0.54) BACE1CHRM2CHRM4CHRM1CHRM3
SCHEMBL19284618 0.73 SMN1; SMN2 (0.51) BACE1CHRM2CHRM4CHRM1CHRM3
SCHEMBL7375251 0.72 PTPN2 (0.61) PTPN2PTPN1PTPN6MEN1KMT2A
SCHEMBL19297192 0.72 BACE1 (0.46) BACE1CHRM2CHRM4CHRM1CHRM3
SCHEMBL8143794 0.72 HTR6 (0.46) BACE1MEN1KMT2AKDM4EMAPT
SCHEMBL6219928 0.72 CHRM2 (0.50) CHRM2CHRM4CHRM1CHRM3KDM4E
SCHEMBL26090256 0.72 CHRM2 (0.50) CHRM2CHRM4CHRM1CHRM3KDM4E
SCHEMBL1088524 0.72 CHRM2 (0.50) CHRM2CHRM4CHRM1CHRM3KDM4E
Trifluoroacetic Acid SCHEMBL7413403 0.71 BACE1 (0.45) BACE1POLB

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
US-6069143-A Fibrinogen receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-05-30 US disclosed
EP-0885213-A4 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-04-28 EP disclosed
EP-0885213-A1 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-12-23 EP disclosed
WO-1997025323-A1 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-17 WO disclosed