SCHEMBL9765092

SCHEMBL9765092

CNS(=O)(=O)Cc1ccc2c(c1)c(CC#N)cn2Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G4A P47712 1/20 0.45
▸ PLA2G2A P14555 3/20 0.41
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNA7 P36544 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ CACNB4 O00305 1/20 0.40
▸ CACNA1A O00555 1/20 0.40
▸ CACNA1G O43497 1/20 0.40
▸ CACNG3 O60359 1/20 0.40
▸ CACNA1F O60840 1/20 0.40
▸ CACNA1H O95180 1/20 0.40
▸ CACNB3 P54284 1/20 0.40
▸ CACNA2D1 P54289 1/20 0.40
▸ CACNG7 P62955 1/20 0.40
▸ CACNA1B Q00975 1/20 0.40
▸ CACNA1D Q01668 1/20 0.40
▸ CACNB1 Q02641 1/20 0.40
▸ CACNG1 Q06432 1/20 0.40
▸ CACNB2 Q08289 1/20 0.40
▸ CACNA1S Q13698 1/20 0.40

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
SCHEMBL9687878 0.87 HTR1D (0.38) MEN1KMT2AICMTHTR6IMPDH2
SCHEMBL9765127 0.82 HTR6 (0.61) PLA2G4AMTNR1AMTNR1BALDH1A1HDAC1
SCHEMBL10465857 0.78 CACNB4 (0.46) PLA2G4ACACNB4CACNA1ACACNA1GCACNG3
SCHEMBL10465308 0.77 CACNB4 (0.42) PLA2G4APLA2G2ACACNB4CACNA1ACACNA1G
SCHEMBL10465880 0.76 PLA2G2A (0.47) PLA2G2ACHRNB2CHRNA7CHRNA4MTNR1A
SCHEMBL10465854 0.75 PLA2G2A (0.46) PLA2G4APLA2G2AMTNR1AMTNR1BICMT
SCHEMBL274052 0.75 KMT2A (0.63) CHRNB2CHRNA7CHRNA4MEN1ALDH1A1
SCHEMBL10494723 0.70 PLA2G4A (0.55) PLA2G4APLA2G2AMTNR1AMTNR1BICMT
SCHEMBL9765114 0.69 HTR1D (0.65) LMNAHTR6SNCA
SCHEMBL6707614 0.69 HTR6 (0.60) CHRNB2CHRNA7CHRNA4MEN1ALDH1A1

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
US-5037845-A Analgesics; for treatment or prevention of pain due to vasodilation in the cranium GLAXO GROUP LIMITED (GB) 1991-08-06 — — US disclosed
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