SCHEMBL11476409

SCHEMBL11476409

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.41
OPRL1 P41146 9/20 0.41
SIGMAR1 Q99720 3/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ATM Q13315 1/20 0.40
OPRM1 P35372 5/20 0.38
OPRK1 P41145 5/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
OPRD1 P41143 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPY1R P25929 1/20 0.37
NPY2R P49146 1/20 0.37

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 SCHEMBL11490183 0.98 KDM4E (0.40) SLC18A3OPRL1SIGMAR1MAPTSMN1; SMN2
SCHEMBL11487147 0.89 OPRL1 (0.42) OPRL1SIGMAR1MAPTSMN1; SMN2ATM
SCHEMBL11478484 0.88 OPRM1 (0.47) SLC18A3MAPTSMN1; SMN2ATMOPRM1
Oxalic Acid SCHEMBL11486149 0.87 SMN1; SMN2 (0.42) OPRL1SIGMAR1MAPTSMN1; SMN2ATM
SCHEMBL11487769 0.86 OPRM1 (0.51) OPRM1OPRK1MEN1KMT2AOPRD1
Bromide SCHEMBL11474247 0.85 OPRM1 (0.50) OPRM1OPRK1MEN1KMT2AOPRD1
SCHEMBL11475284 0.85 SIGMAR1 (0.48) SLC18A3SIGMAR1MAPTSMN1; SMN2ATM
SCHEMBL11477977 0.84 SMN1; SMN2 (0.46) SLC18A3MAPTSMN1; SMN2ATMOPRM1
SCHEMBL11490756 0.84 OPRL1 (0.47) OPRL1SIGMAR1OPRM1OPRK1OPRD1
Oxalic Acid SCHEMBL11490220 0.83 SIGMAR1 (0.46) SLC18A3SIGMAR1SMN1; SMN2ALDH1A1KDM4E

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