SCHEMBL21301017

SCHEMBL21301017

CNc1nc(-c2cc(OC)cc(C(F)(F)F)c2)c(CN2CCCC2C)s1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 1/20 0.40
▸ ACHE P22303 4/20 0.39
▸ TRPV4 Q9HBA0 3/20 0.37
▸ KDM1A O60341 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.35
▸ SLC2A1 P11166 1/20 0.34
▸ HRH3 Q9Y5N1 7/20 0.34
▸ CHRNB1 P11230 1/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ CHRNB3 Q05901 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 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
SCHEMBL17400676 1.00 CRHR1 (0.40) CRHR1ACHETRPV4KDM1APDE10A
SCHEMBL21301035 0.90 CRHR1 (0.44) CRHR1ACHETRPV4KDM1APDE10A
SCHEMBL17412696 0.89 TRPV4 (0.43) CRHR1ACHETRPV4SLC2A1KDM4E
SCHEMBL18724238 0.88 CRHR1 (0.43) CRHR1ACHESLC2A1HRH3ALDH1A1
SCHEMBL18724017 0.88 MAP4K4 (0.38) CRHR1ACHETRPV4SLC2A1HRH3
SCHEMBL17400621 0.88 CRHR1 (0.43) CRHR1ACHESLC2A1HRH3ALDH1A1
SCHEMBL21301145 0.87 RORB (0.39) CRHR1ACHEKDM1APDE10AHRH3
SCHEMBL17412800 0.87 RORB (0.39) CRHR1ACHEKDM1APDE10AHRH3
SCHEMBL18724139 0.86 CRHR1 (0.40) CRHR1HRH3KDM4EALDH1A1MAPT
SCHEMBL18724315 0.85 CCR2 (0.36) CRHR1TRPV4SLC2A1HRH3KDM4E

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
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