SCHEMBL26437013

SCHEMBL26437013

Oc1cc(C(F)(F)F)ccc1-c1nnc(NC2CCCCC2O)c2occc12

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 6/20 0.69
KCNH2 Q12809 1/20 0.69
IL1B P01584 8/20 0.46
TNF P01375 2/20 0.41
TRPV1 Q8NER1 1/20 0.35
TRPV3 Q8NET8 4/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
LATS1 O95835 2/20 0.34
LATS2 Q9NRM7 1/20 0.34

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
SCHEMBL26437018 0.92 NLRP3 (0.69) NLRP3KCNH2IL1BTNFTRPV1
SCHEMBL26091817 0.87 NLRP3 (0.54) NLRP3KCNH2IL1BTNFTRPV1
SCHEMBL26436999 0.87 NLRP3 (0.54) NLRP3KCNH2IL1BTNFTRPV1
SCHEMBL30624986 0.84 NLRP3 (0.74) NLRP3KCNH2IL1BTNFTRPV3
SCHEMBL24855752 0.84 NLRP3 (0.74) NLRP3KCNH2IL1BTNFTRPV3
SCHEMBL24855438 0.84 NLRP3 (0.74) NLRP3KCNH2IL1BTNFTRPV3
SCHEMBL24855753 0.84 NLRP3 (0.74) NLRP3KCNH2IL1BTNFTRPV3
SCHEMBL30180967 0.84 NLRP3 (0.74) NLRP3KCNH2IL1BTNFTRPV3
SCHEMBL30181078 0.84 NLRP3 (0.74) NLRP3KCNH2IL1BTNFTRPV3
SCHEMBL30181196 0.84 NLRP3 (0.74) NLRP3KCNH2IL1BTNFTRPV3

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
WO-2023066377-A1 NITROGEN-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 索智生物科技(浙江)有限公司 2023-04-27 WO disclosed