SCHEMBL7313193

SCHEMBL7313193

COC(=O)CN1CCN(C2OC(=O)N(CCN3CCN(C4CC4)CC3)C2C)CC1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.33
HRH3 Q9Y5N1 5/20 0.32
HTR7 P34969 1/20 0.32
OPRL1 P41146 2/20 0.32
OPRM1 P35372 1/20 0.32
KDM1A O60341 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
TRPV6 Q9H1D0 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
SCHEMBL7316521 0.92 SMN1; SMN2 (0.41) HTR7KDM1ASMN1; SMN2BRD4CREBBP
SCHEMBL7313690 0.91 CYP1A2 (0.33) SIGMAR1SMN1; SMN2
SCHEMBL7304274 0.90 SMN1; SMN2 (0.34) HTR7OPRM1SMN1; SMN2BRD4
SCHEMBL7306204 0.89 ITGB3 (0.38) SIGMAR1HRH3HTR7KDM1ASMN1; SMN2
SCHEMBL7315401 0.89 GRIN1 (0.41) SIGMAR1HTR7
SCHEMBL7343679 0.87 OPRM1 (0.33) SIGMAR1OPRL1OPRM1
SCHEMBL7307085 0.85 SIGMAR1 (0.38) SIGMAR1HRH3HTR7OPRL1OPRM1
SCHEMBL7306902 0.84 SMN1; SMN2 (0.40) KDM1ASMN1; SMN2
SCHEMBL7314634 0.84 GLA (0.38) HRH3HTR7KDM1ATRPV6
SCHEMBL7314486 0.84 SIGMAR1 (0.35) SIGMAR1HRH3HTR7

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