SCHEMBL7305780

SCHEMBL7305780

CC1C(N2CCN(CCC(=O)O)CC2)OC(=O)N1C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.42
OPRL1 P41146 2/20 0.42
OPRM1 P35372 1/20 0.42
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42
FAAH O00519 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ACHE P22303 2/20 0.41
TSHR P16473 1/20 0.41
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40

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
SCHEMBL7306412 0.95 SMN1; SMN2 (0.42) SMN1; SMN2RECQLOPRL1OPRM1HTR7
SCHEMBL7314659 0.91 ALDH1A1 (0.43) SMN1; SMN2RECQLKMT2AHTR1AHTR7
SCHEMBL7305616 0.90 SMN1; SMN2 (0.44) SMN1; SMN2RECQLOPRL1OPRM1FAAH
SCHEMBL7304933 0.89 ALDH1A1 (0.40) SMN1; SMN2RECQLKMT2AOPRL1OPRM1
SCHEMBL7306453 0.88 ALDH1A1 (0.42) SMN1; SMN2RECQLKMT2AOPRM1ALDH1A1
SCHEMBL7303568 0.85 ALDH1A1 (0.45) SMN1; SMN2RECQLKMT2AOPRL1OPRM1
SCHEMBL7305450 0.85 CCR5 (0.35) SMN1; SMN2ALDH1A1ACHE
SCHEMBL7317129 0.85 KMT2A (0.45) SMN1; SMN2KMT2AOPRM1HTR1AHTR7
SCHEMBL7316550 0.85 ACHE (0.42) KMT2AHTR1AHTR7ACHE
SCHEMBL7308443 0.84 ACHE (0.46) ACHE

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