SCHEMBL7307905

SCHEMBL7307905

COC(=O)CN1CCN(C2OC(=O)N(C3CCN(C)CC3)C2C)CC1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.32
RECQL P46063 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CCR5 P51681 2/20 0.31
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
SIGMAR1 Q99720 1/20 0.30
MTOR P42345 1/20 0.30
L3MBTL3 Q96JM7 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 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
SCHEMBL7311690 0.91 SMN1; SMN2 (0.41) SMN1; SMN2CCR5L3MBTL1TSHR
SCHEMBL7311024 0.90 SMN1; SMN2 (0.35) SMN1; SMN2CCR5L3MBTL1TSHR
SCHEMBL7310309 0.88 ITGB3 (0.34) RECQLSMN1; SMN2CCR5L3MBTL3L3MBTL1
SCHEMBL7302535 0.88 HRH3 (0.34) SIGMAR1TSHR
SCHEMBL7313319 0.88 MTOR (0.32) MTOR
SCHEMBL7309076 0.84 ALDH1A1 (0.39) RECQLL3MBTL1MAPK1
SCHEMBL7303568 0.84 ALDH1A1 (0.45) FKBP1ARECQLSMN1; SMN2OPRM1OPRL1
SCHEMBL7305450 0.83 CCR5 (0.35) SMN1; SMN2CCR5L3MBTL3L3MBTL1MAPK1
SCHEMBL7303493 0.82 SMN1; SMN2 (0.38) SMN1; SMN2CCR5OPRM1L3MBTL1TSHR
SCHEMBL7303836 0.81 SMN1; SMN2 (0.38) SMN1; SMN2CCR5OPRM1OPRL1TSHR

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