SCHEMBL9799280

SCHEMBL9799280

CCC(CCCc1ccccc1)(c1cccs1)N(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 5/20 0.40
▸ CHRM2 P08172 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ DRD1 P21728 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ AOC3 Q16853 1/20 0.37
▸ FDPS P14324 4/20 0.36
▸ GRIN2B Q13224 3/20 0.36
▸ GGPS1 O95749 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 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
SCHEMBL9799293 0.88 FDPS (0.38) SIGMAR1KCNH2AOC3FDPSNPC1
SCHEMBL9799232 0.80 OPRM1 (0.40) CHRM2SLC6A4OPRM1SLC6A3KCNH2
SCHEMBL9799267 0.80 CYP3A4 (0.46) CHRM2HTR1AADRA2ADRD1SLC6A4
SCHEMBL10423292 0.80 KDM4E (0.41) CHRM2SLC6A4OPRM1SLC6A3KCNH2
SCHEMBL9799434 0.75 MEN1 (0.38) SIGMAR1CHRM2HTR1AADRA2ACHRM1
SCHEMBL9830678 0.74 RIPK1 (0.38) CHRM2CHRM1
SCHEMBL9799824 0.74 NPC1 (0.35) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL9849846 0.71 ALDH1A1 (0.36) SIGMAR1SLC6A2SLC6A4ADRA1ASLC6A3
SCHEMBL9831796 0.69 NPC1 (0.35) NPC1CYP1A2CYP2C9CYP2C19
SCHEMBL16268640 0.69 MAOA (0.35) —

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 8 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
US-4946862-A Thiophene derivative and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1990-08-07 — — US claimed
EP-0298703-A1 A thiophene derivative and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1989-01-11 — — EP claimed
JP-2256613-A — — None — — JP disclosed
EP-0298703-B1 A THIOPHENE DERIVATIVE AND PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 1991-03-06 — — EP disclosed
JP-H02256613-A REGULATOR FOR DIGESTIVE TRACT FUNCTION TANABE SEIYAKU CO LTD 1990-10-17 — — JP 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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