SCHEMBL8162140

SCHEMBL8162140

O=C(NCc1cccnc1)c1ccc(CCCc2ccccc2CCc2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.69
▸ ALDH1A1 P00352 3/20 0.69
▸ NAMPT P43490 4/20 0.61
▸ HTT P42858 4/20 0.59
▸ LMNA P02545 6/20 0.58
▸ MAPT P10636 1/20 0.58
▸ GAA P10253 1/20 0.57
▸ PTAFR P25105 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.56
▸ EPHX2 P34913 1/20 0.56
▸ CA2 P00918 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ GFER P55789 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL8406336 0.84 LMNA (0.72) TRPV1ALDH1A1NAMPTHTTLMNA
SCHEMBL1161997 0.82 NAMPT (0.75) TRPV1ALDH1A1NAMPTHTTLMNA
SCHEMBL8173946 0.81 NAMPT (0.77) TRPV1ALDH1A1NAMPTHTTLMNA
SCHEMBL2984197 0.80 NAMPT (0.72) TRPV1ALDH1A1NAMPTHTTLMNA
SCHEMBL6258710 0.78 NPC1 (0.60) SMN1; SMN2
SCHEMBL10076246 0.77 TRPV1 (0.74) TRPV1ALDH1A1NAMPTHTTLMNA
SCHEMBL5257811 0.77 LMNA (0.72) TRPV1ALDH1A1NAMPTHTTLMNA
SCHEMBL6569317 0.77 LMNA (0.72) TRPV1ALDH1A1NAMPTHTTLMNA
SCHEMBL8327425 0.77 PTGER1 (0.61) TRPV1ALDH1A1NAMPTHTTLMNA
SCHEMBL1568226 0.77 ALDH1A1 (0.72) TRPV1ALDH1A1NAMPTHTTLMNA

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-6057345-A ANTAGONISTS OF THE PAIN ENHANCING EFFECTS OF E-TYPE PROSTAGLANDINS; USED IN PAIN RELIEF ZENECA LIMITED (GB) 2000-05-02 — — US claimed
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