SCHEMBL11487147

SCHEMBL11487147

CC(=O)C1(c2ccccc2Sc2ccccc2)CCN(CC2CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 10/20 0.42
SIGMAR1 Q99720 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 2/20 0.41
ATM Q13315 1/20 0.41
OPRM1 P35372 6/20 0.40
OPRK1 P41145 6/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
OPRD1 P41143 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38

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
Oxalic Acid SCHEMBL11486149 0.98 SMN1; SMN2 (0.42) OPRL1SIGMAR1SMN1; SMN2MAPTATM
SCHEMBL11490756 0.95 OPRL1 (0.47) OPRL1SIGMAR1OPRM1OPRK1OPRD1
SCHEMBL11476409 0.89 SLC18A3 (0.41) OPRL1SIGMAR1SMN1; SMN2MAPTATM
Oxalic Acid SCHEMBL11490183 0.87 KDM4E (0.40) OPRL1SIGMAR1SMN1; SMN2MAPTATM
SCHEMBL11487769 0.86 OPRM1 (0.51) OPRM1OPRK1LMNAMEN1KMT2A
SCHEMBL11481965 0.86 OPRM1 (0.48) SMN1; SMN2MAPTATMOPRM1OPRK1
Bromide SCHEMBL11474247 0.85 OPRM1 (0.50) OPRM1OPRK1LMNAMEN1KMT2A
SCHEMBL11483187 0.82 SMN1; SMN2 (0.46) SMN1; SMN2MAPTATMOPRM1OPRK1
Oxalic Acid SCHEMBL11487121 0.80 KDM4E (0.50) SMN1; SMN2MAPTOPRM1OPRK1ALDH1A1
SCHEMBL11478460 0.78 USP30 (0.38) SMN1; SMN2MAPTATMALDH1A1LMNA

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-4198419-A Phenylthiophenylpiperidines AMERICAN HOECHST CORPORATION (US) 1980-04-15 US claimed