SCHEMBL9799824

SCHEMBL9799824

[C-]#[N+]C(CC)(CCCc1ccccc1)c1cccs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ CHRM2 P08172 5/20 0.33
▸ CHRM1 P11229 5/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ DRD1 P21728 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ CHRM3 P20309 4/20 0.33
▸ LTB4R Q15722 1/20 0.32
▸ PLA2G4A P47712 1/20 0.32

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
SCHEMBL9799815 0.88 L3MBTL1 (0.35) NPC1KCNH2L3MBTL1
SCHEMBL9799313 0.81 TUBB4A (0.38) CYP1A2CYP2C9CYP2C19L3MBTL1MEN1
SCHEMBL9799434 0.74 MEN1 (0.38) NPC1CYP1A2CYP2C9CYP2C19CHRM2
SCHEMBL9799280 0.74 SIGMAR1 (0.40) NPC1CYP1A2CYP2C9CYP2C19CHRM2
SCHEMBL9832379 0.73 NPC1 (0.35) NPC1CYP1A2CYP2C9CYP2C19ESR1
SCHEMBL9833650 0.72 MAPT (0.41) NPC1L3MBTL1KMT2A
SCHEMBL13307925 0.68 L3MBTL1 (0.41) CHRM2CHRM1HTR1AADRA2ADRD1
SCHEMBL9799541 0.67 PTGS2 (0.39) CYP1A2CYP2C9CYP2C19L3MBTL1MEN1
SCHEMBL5914943 0.64 SMN1; SMN2 (0.43) NPC1CYP1A2CYP2C9CYP2C19CHRM2
SCHEMBL5915004 0.64 SMN1; SMN2 (0.43) NPC1CYP1A2CYP2C9CYP2C19CHRM2

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 3 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 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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