SCHEMBL7306204

SCHEMBL7306204

CC1C(N2CCN(CC(=O)O)CC2)OC(=O)N1CCN1CCN(C2CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
ALOX15 P16050 2/20 0.37
TRPV6 Q9H1D0 3/20 0.34
HTR7 P34969 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM1A O60341 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
SIGMAR1 Q99720 1/20 0.32
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31

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
SCHEMBL7314634 0.91 GLA (0.38) ALOX15TRPV6HTR7KDM1AKDM4E
SCHEMBL7309061 0.91 HSD17B10 (0.35) HSD17B10KDM4EALDH1A1RECQLSMN1; SMN2
SCHEMBL7313428 0.89 CYP1A2 (0.37) HTR7KDM1ASMN1; SMN2CHRM2CHRM1
SCHEMBL7313193 0.89 SIGMAR1 (0.33) TRPV6HTR7KDM1ASIGMAR1SMN1; SMN2
SCHEMBL7316047 0.88 GRIN1 (0.42) HTR7SIGMAR1CHRM2CHRM1
SCHEMBL7307155 0.86 ITGB3 (0.34) ITGB3ITGA2BALOX15TRPV6HTR7
SCHEMBL7315123 0.84 HTR7 (0.38) ALOX15HTR7HSD17B10KDM4EALDH1A1
SCHEMBL7303939 0.84 SMN1; SMN2 (0.44) ALDH1A1SIGMAR1SMN1; SMN2
SCHEMBL7305000 0.83 CHRM2 (0.36) ITGB3ITGA2BALOX15HTR7HSD17B10
SCHEMBL7316521 0.83 SMN1; SMN2 (0.41) HTR7HSD17B10KDM1AKDM4EALDH1A1

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