SCHEMBL18436774

SCHEMBL18436774

C[C@H](O)CNc1ccc(-c2cnc3c(-c4ccc(C#N)cc4)cccc3c2Cl)cn1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.39
EP300 Q09472 11/20 0.36
FAAH O00519 3/20 0.36
MAPK1 P28482 1/20 0.35
FYN P06241 1/20 0.34
KDM4A O75164 1/20 0.34
KDM5B Q9UGL1 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
SCHEMBL18436776 0.85 HRH4 (0.35) EP300FAAH
SCHEMBL1727148 0.73 KDM4E (0.47) FAAH
SCHEMBL17128066 0.71 ENPP1 (0.40) KDM4AKDM5B
SCHEMBL17128326 0.70 CNR2 (0.46) CNR2
SCHEMBL17128422 0.70 CNR2 (0.46) CNR2
SCHEMBL17128203 0.68 IRAK4 (0.38) FYNKDM4AKDM5B
SCHEMBL17127854 0.68 HRH4 (0.41) CNR2
SCHEMBL18436812 0.68 HRH4 (0.41) CNR2
SCHEMBL18436758 0.68 KDM1A (0.34) EP300MAPK1
SCHEMBL18436479 0.67 GABRA5 (0.35)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3124482-B1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO LTD (CN) 2019-09-11 EP disclosed
EP-3124482-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-02-01 EP disclosed