SCHEMBL7400942

SCHEMBL7400942

CCCCc1noc(-c2ccccc2N(C(N)=O)C2CC3CCCC(C2)N3C)n1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
CHRM2 P08172 6/20 0.38
CHRM4 P08173 6/20 0.38
CHRM5 P08912 6/20 0.38
CHRM1 P11229 6/20 0.38
CHRM3 P20309 6/20 0.38
SPHK1 Q9NYA1 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR5 Q9H228 1/20 0.33

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
SCHEMBL9821931 1.00 TDP1 (0.40) TDP1CHRM2CHRM4CHRM5CHRM1
SCHEMBL7397762 0.96 TDP1 (0.41) TDP1CHRM2CHRM4CHRM5CHRM1
SCHEMBL9821927 0.96 TDP1 (0.41) TDP1CHRM2CHRM4CHRM5CHRM1
SCHEMBL9359143 0.87 CHRM2 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9363885 0.87 CHRM2 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9363505 0.85 ATM (0.42) CHRM2CHRM4CHRM1CHRM3
SCHEMBL7396627 0.85 ATM (0.42) CHRM2CHRM4CHRM1CHRM3
SCHEMBL7492936 0.85 CHRM2 (0.37) TDP1CHRM2CHRM4CHRM5CHRM1
SCHEMBL9821920 0.84 NPC1 (0.47) CHRM2CHRM4CHRM1CHRM3
SCHEMBL7401003 0.84 NPC1 (0.47) CHRM2CHRM4CHRM1CHRM3

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-0491770-A1 SUBSTITUTED UREA COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1992-07-01 EP disclosed
EP-0419397-A1 Substituted urea compounds and their preparation and use NOVO NORDISK A/S (DK) 1991-03-27 EP disclosed
WO-1991003475-A1 SUBSTITUTED UREA COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1991-03-21 WO disclosed