SCHEMBL8659558

SCHEMBL8659558

CN1C(=O)OC(N2CCN(CC(=O)O)CC2)C1CCN1CCN(C2CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
ALOX15 P16050 1/20 0.37
TRPV6 Q9H1D0 3/20 0.34
SIGMAR1 Q99720 1/20 0.32
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30

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
SCHEMBL8656805 0.91 HTR7 (0.38) HTR7TRPV6CHRM2CHRM1KDM4E
SCHEMBL8659155 0.89 CYP1A2 (0.37) HTR7SMN1; SMN2CHRM2CHRM1
SCHEMBL8659538 0.88 HTR7 (0.36) HTR7TRPV6SIGMAR1RECQLSMN1; SMN2
SCHEMBL8659427 0.87 HTR7 (0.41) HTR7SIGMAR1CHRM2CHRM1
SCHEMBL8659391 0.85 HTR7 (0.39) HTR7SIGMAR1SMN1; SMN2CHRM2CHRM1
SCHEMBL8655132 0.84 ITGB3 (0.33) ITGB3ITGA2BALOX15RECQLSMN1; SMN2
SCHEMBL8659270 0.84 HTR7 (0.36) HTR7ITGB3ITGA2BSIGMAR1CHRM2
SCHEMBL8655668 0.84 SMN1; SMN2 (0.44) HTR7SMN1; SMN2ALDH1A1
SCHEMBL8658295 0.83 ALDH1A1 (0.33) HTR7RECQLSMN1; SMN2HSD17B10KDM4E
SCHEMBL8655682 0.82 S1PR1 (0.32) RECQLSMN1; SMN2

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
US-5776937-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-07-07 US disclosed