SCHEMBL21301033

SCHEMBL21301033

CCC1CCCN1Cc1sc(NC)nc1-c1cc(OC)cc(OC(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 1/20 0.42
▸ TRPV4 Q9HBA0 3/20 0.37
▸ HCRTR1 O43613 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ CRHBP P24387 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ENPP2 Q13822 1/20 0.33
▸ ACHE P22303 3/20 0.33
▸ FAAH O00519 2/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ CHRM4 P08173 1/20 0.32
▸ IL1B P01584 1/20 0.32

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
SCHEMBL21301035 0.90 CRHR1 (0.44) CRHR1TRPV4MAPK1ALDH1A1CRHBP
SCHEMBL21301073 0.84 MAPK1 (0.43) CRHR1MAPK1ALDH1A1CRHBPCRHR2
SCHEMBL21301054 0.83 CRHR1 (0.39) CRHR1TRPV4MAPK1ALDH1A1CRHBP
SCHEMBL18724209 0.81 JAK2 (0.38) CRHR1TRPV4ACHEKMT2AIL1B
SCHEMBL21301055 0.80 CRHR1 (0.41) CRHR1HCRTR1ACHEIL1B
SCHEMBL18724210 0.80 MAPK1 (0.42) CRHR1MAPK1ALDH1A1CRHBPCRHR2
SCHEMBL17400676 0.79 CRHR1 (0.40) CRHR1TRPV4ALDH1A1ACHEKDM4E
SCHEMBL18724088 0.79 CRHR1 (0.40) CRHR1TRPV4MAPK1ALDH1A1ENPP2
SCHEMBL21301017 0.79 CRHR1 (0.40) CRHR1TRPV4ALDH1A1ACHEKDM4E
SCHEMBL21301038 0.79 CRHR1 (0.42) CRHR1MAPK1KMT2AKDM4EHSD17B10

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
EP-2963036-B1 2-ACYLAMINOTHIAZOLE DERIVATIVE AND SALT THEREOF ASTELLAS PHARMA INC (JP) 2019-08-28 — — EP disclosed
Send feedback