SCHEMBL11477282

SCHEMBL11477282

CCC(=O)C1(c2ccccc2Sc2ccccc2)CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.44
HTR1A P08908 3/20 0.39
HTR3A P46098 3/20 0.39
SIRT1 Q96EB6 1/20 0.36
SLC6A9 P48067 2/20 0.36
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
BLM P54132 1/20 0.35
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.34

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
Hydrochloric Acid SCHEMBL11477019 0.99 OPRM1 (0.43) OPRM1HTR1AHTR3ASIRT1SLC6A9
SCHEMBL11477972 0.85 HTR1A (0.41) OPRM1HTR1AHTR3ASIRT1SLC6A9
SCHEMBL11253111 0.85 HTR1A (0.43) OPRM1HTR1AHTR3ASIRT1SLC6A9
Hydrochloric Acid SCHEMBL11476881 0.84 HTR1A (0.43) OPRM1HTR1AHTR3ASIRT1SLC6A9
SCHEMBL11501244 0.84 HTR1A (0.36) OPRM1HTR1AHTR3ASIRT1SLC6A9
SCHEMBL11477520 0.84 OPRM1 (0.63) OPRM1SMN1; SMN2
Bromide SCHEMBL11427829 0.84 HTR1A (0.42) OPRM1HTR1AHTR3ASIRT1SLC6A9
SCHEMBL11477977 0.84 SMN1; SMN2 (0.46) OPRM1SLC6A9ALDH1A1LMNAATM
SCHEMBL11478484 0.82 OPRM1 (0.47) OPRM1ALDH1A1KMT2AMEN1LMNA
Bromide SCHEMBL11487097 0.82 SMN1; SMN2 (0.45) OPRM1SLC6A9ALDH1A1LMNAATM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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