SCHEMBL9799315

SCHEMBL9799315

CCCC(c1cccs1)N(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.42
OPRK1 P41145 3/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
ALOX5 P09917 1/20 0.37
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
SLC6A2 P23975 1/20 0.35

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
SCHEMBL28679829 0.89 OPRM1 (0.40) OPRM1OPRK1KDM4EALDH1A1LMNA
SCHEMBL2376360 0.85 OPRM1 (0.44) OPRM1OPRK1KDM4EALDH1A1LMNA
SCHEMBL2488429 0.84 OPRM1 (0.44) OPRM1OPRK1KDM4EALDH1A1LMNA
SCHEMBL4742742 0.84 OPRM1 (0.44) OPRM1OPRK1KDM4EALDH1A1LMNA
SCHEMBL2018408 0.84 OPRM1 (0.44) OPRM1OPRK1KDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL30082837 0.83 OPRM1 (0.43) OPRM1OPRK1KDM4EALDH1A1LMNA
SCHEMBL2457947 0.80 LMNA (0.36) OPRM1OPRK1KDM4EALDH1A1LMNA
SCHEMBL6674978 0.79 KDM4E (0.49) OPRM1OPRK1KDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL27535166 0.78 KDM4E (0.48) OPRM1OPRK1KDM4EALDH1A1LMNA
SCHEMBL159474 0.76 TAS1R3 (0.37) OPRM1OPRK1LMNAKMT2ANPC1

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-0298703-B1 A THIOPHENE DERIVATIVE AND PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 1991-03-06 EP disclosed