SCHEMBL7306412

SCHEMBL7306412

CC1C(N2CCN(CCCC(=O)O)CC2)OC(=O)N1C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
ABL1 P00519 1/20 0.42
RIN1 Q13671 1/20 0.42
RECQL P46063 1/20 0.42
OPRL1 P41146 2/20 0.41
CACNA1G O43497 1/20 0.41
OPRM1 P35372 1/20 0.41
ALDH1A1 P00352 2/20 0.41
FAAH O00519 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ACHE P22303 2/20 0.40
HTR7 P34969 1/20 0.40
LTA4H P09960 2/20 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
SCHEMBL7305780 0.95 SMN1; SMN2 (0.43) SMN1; SMN2ABL1RIN1RECQLOPRL1
SCHEMBL7306453 0.91 ALDH1A1 (0.42) SMN1; SMN2ABL1RIN1RECQLCACNA1G
SCHEMBL7305616 0.89 SMN1; SMN2 (0.44) SMN1; SMN2RECQLOPRL1OPRM1ALDH1A1
SCHEMBL7314659 0.88 ALDH1A1 (0.43) SMN1; SMN2RECQLALDH1A1KDM4EACHE
SCHEMBL7304933 0.86 ALDH1A1 (0.40) SMN1; SMN2RECQLOPRL1OPRM1ALDH1A1
SCHEMBL7314570 0.86 CACNA1G (0.43) SMN1; SMN2CACNA1GALDH1A1HTR7
SCHEMBL7311883 0.86 HTR7 (0.43) CACNA1GALDH1A1HTR7
SCHEMBL7309384 0.86 CHRM2 (0.43) SMN1; SMN2CACNA1GALDH1A1HTR7
SCHEMBL7308778 0.86 LTA4H (0.42) ABL1RIN1CACNA1GACHELTA4H
SCHEMBL7303493 0.86 SMN1; SMN2 (0.38) SMN1; SMN2OPRM1ALDH1A1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711770-A1 Antagonists of adhesion receptors MERCK PATENT GmbH (DE) 1996-05-15 EP disclosed