SCHEMBL9833083

SCHEMBL9833083

CCC(CCSc1cc(OC)c(OC)c(OC)c1)(c1cccs1)N(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.40
▸ OPRD1 P41143 2/20 0.40
▸ NR1I2 O75469 1/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ CYP3A4 P08684 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MAPK1 P28482 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
SCHEMBL9832269 0.90 MAPT (0.36) OPRM1OPRD1NR1I2CHRM2ADORA3
SCHEMBL9831867 0.83 OPRM1 (0.40) OPRM1OPRD1NR1I2CHRM2ADORA3
SCHEMBL9832757 0.83 TUBB4A (0.38) ALDH1A1SMN1; SMN2CYP3A4MEN1MAPT
SCHEMBL9799232 0.81 OPRM1 (0.40) OPRM1OPRD1NR1I2CHRM2ADORA3
SCHEMBL9799289 0.80 OPRM1 (0.43) OPRM1OPRD1NR1I2CHRM2ADORA3
SCHEMBL9833569 0.79 TUBB4A (0.35) ALDH1A1SMN1; SMN2CYP3A4MEN1MAPT
SCHEMBL9831796 0.79 NPC1 (0.35) ALDH1A1CYP3A4MAPTKMT2ALMNA
SCHEMBL9834177 0.78 MAPT (0.42) ALDH1A1SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL9832363 0.76 OPRM1 (0.43) OPRM1OPRD1NR1I2CHRM2ADORA3
SCHEMBL9832805 0.74 OPRM1 (0.70) OPRM1OPRD1NR1I2CHRM2ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2256612-A — — None — — JP disclosed
EP-0297782-B1 A THIOPHENE DERIVATIVE AND PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 1991-05-22 — — EP disclosed
JP-H02256612-A REGULATOR FOR DIGESTIVE TRACT FUNCTION TANABE SEIYAKU CO LTD 1990-10-17 — — JP disclosed
US-4857543-A TREATMENT OF GASTROINTESTINAL DISORDERS TANABE SEIYAKU CO., LTD. (JP) 1989-08-15 — — US disclosed
EP-0297782-A1 A thiophene derivative and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1989-01-04 — — EP disclosed
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