SCHEMBL17847362

SCHEMBL17847362

C=CCOC(=O)N1CCC(N(CCNc2ccccc2)CCc2ccc(Cl)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.42
CHIT1 Q13231 5/20 0.41
CHIA Q9BZP6 5/20 0.41
KCNH2 Q12809 4/20 0.41
CCR3 P51677 7/20 0.40
NR1D1 P20393 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
C5AR1 P21730 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL28421074 0.89 CHIT1 (0.42) FAAHCHIT1CHIAKCNH2CCR3
SCHEMBL17838837 0.88 CHRM1 (0.49) FAAHCHIT1CHIAKCNH2SMN1; SMN2
SCHEMBL17847360 0.84 FAAH (0.45) FAAHCHIT1CHIAKCNH2CCR3
Hydrochloric Acid SCHEMBL17838892 0.83 FAAH (0.44) FAAHCHIT1CHIAKCNH2CCR3
SCHEMBL17838885 0.82 KCNH2 (0.44) FAAHCHIT1CHIAKCNH2NR1D1
SCHEMBL28174775 0.68 MEN1 (0.58) NR1D1MEN1KMT2AGPR119SMN1; SMN2
Hydrochloric Acid SCHEMBL28430234 0.67 CHIT1 (0.49) CHIT1CHIAKCNH2CCR3MEN1
SCHEMBL17838844 0.66 C5AR1 (0.49) CHIT1CHIAKCNH2CCR3MEN1
SCHEMBL17838866 0.64 MEN1 (0.49) CHIT1CHIAKCNH2CCR3NR1D1
SCHEMBL17838900 0.64 MEN1 (0.49) CHIT1CHIAKCNH2CCR3MEN1

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-3233832-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS ACIDIC MAMMALIAN CHITINASE INHIBITORS ONCOARENDI THERAPEUTICS S.A. (PL) 2017-10-25 EP disclosed
WO-2016099311-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS ACIDIC MAMMALIAN CHITINASE INHIBITORS OncoArendi Therapeutics Sp. z o.o. (PL) 2016-06-23 WO disclosed