SCHEMBL9799232

SCHEMBL9799232

CCC(CCCc1cc(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
▸ AOC3 Q16853 2/20 0.39
▸ TUBB4A P04350 3/20 0.39
▸ TUBB P07437 3/20 0.39
▸ TUBA3C P0DPH7 3/20 0.39
▸ TUBA1B P68363 3/20 0.39
▸ TUBA4A P68366 3/20 0.39
▸ TUBB4B P68371 3/20 0.39
▸ TUBB3 Q13509 3/20 0.39

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
SCHEMBL10423292 0.90 KDM4E (0.41) OPRM1OPRD1NR1I2CHRM2ADORA3
SCHEMBL9799267 0.89 CYP3A4 (0.46) OPRM1CHRM2ADRA2BSLC6A4PDE4D
SCHEMBL9799289 0.86 OPRM1 (0.43) OPRM1OPRD1NR1I2CHRM2ADORA3
SCHEMBL9831867 0.82 OPRM1 (0.40) OPRM1OPRD1NR1I2CHRM2ADORA3
SCHEMBL9832363 0.82 OPRM1 (0.43) OPRM1OPRD1NR1I2CHRM2ADORA3
SCHEMBL9833083 0.81 OPRM1 (0.40) OPRM1OPRD1NR1I2CHRM2ADORA3
SCHEMBL9799280 0.80 SIGMAR1 (0.40) OPRM1CHRM2SLC6A4SLC6A3KCNH2
SCHEMBL9799522 0.80 TUBB4A (0.39) AOC3TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9799313 0.79 TUBB4A (0.38) AOC3TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9799293 0.77 FDPS (0.38) KCNH2AOC3LMNAMAPTSMN1; SMN2

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
EP-0298703-B1 A THIOPHENE DERIVATIVE AND PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 1991-03-06 — — EP claimed
EP-0298703-A1 A thiophene derivative and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1989-01-11 — — EP claimed
EP-0298703-B1 A THIOPHENE DERIVATIVE AND PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 1991-03-06 — — EP disclosed
US-4946862-A Thiophene derivative and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1990-08-07 — — US disclosed
EP-0298703-A1 A thiophene derivative and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1989-01-11 — — EP disclosed
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