SCHEMBL8655682

SCHEMBL8655682

CCCN1CCN(CCCCC2C(N3CCN(CC(=O)O)CC3)OC(=O)N2C)CC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.32
TP53 P04637 1/20 0.31
KCNH2 Q12809 1/20 0.31
RECQL P46063 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HRH3 Q9Y5N1 1/20 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
SCHEMBL8658344 0.91 GLA (0.33) KCNH2SMN1; SMN2HRH3
SCHEMBL8658295 0.90 ALDH1A1 (0.33) S1PR1RECQLSMN1; SMN2
SCHEMBL8655443 0.89 ITGB3 (0.32) RECQLSMN1; SMN2
SCHEMBL8656293 0.88 OPRL1 (0.35)
SCHEMBL8659427 0.87 HTR7 (0.41)
SCHEMBL8657712 0.86 SMN1; SMN2 (0.42) SMN1; SMN2
SCHEMBL8656871 0.85 ITGB3 (0.32) RECQLSMN1; SMN2
SCHEMBL8659458 0.84 FPR3 (0.32) SMN1; SMN2
SCHEMBL8657864 0.82 SMN1; SMN2 (0.43) SMN1; SMN2
SCHEMBL8659558 0.82 HTR7 (0.38) 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