SCHEMBL18724052

SCHEMBL18724052

CNc1nc(-c2cc(F)c(OC)c(Cl)c2)c(CN2CCCC2C)s1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 6/20 0.39
▸ CRHR1 P34998 1/20 0.38
▸ ACHE P22303 2/20 0.33
▸ MLLT1 Q03111 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ CRHBP P24387 1/20 0.32
▸ CRHR2 Q13324 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TRPV4 Q9HBA0 1/20 0.32
▸ AVPR1B P47901 1/20 0.32
▸ DRD2 P14416 2/20 0.31
▸ DRD1 P21728 2/20 0.31
▸ DRD4 P21917 2/20 0.31
▸ DRD5 P21918 2/20 0.31
▸ DRD3 P35462 2/20 0.31

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
SCHEMBL21007325 0.93 CRHR1 (0.39) HRH3CRHR1MAPTCRHBPCRHR2
SCHEMBL21301061 0.91 MAPT (0.38) HRH3CRHR1MAPTCRHBPCRHR2
SCHEMBL21301038 0.90 CRHR1 (0.42) CRHR1DRD2DRD1DRD4DRD5
SCHEMBL21006224 0.90 HRH3 (0.39) HRH3CRHR1MAPTCRHBPCRHR2
SCHEMBL18724398 0.89 OGA (0.41) HRH3CRHR1ACHEMLLT1TRPV4
SCHEMBL18724248 0.87 HRH3 (0.40) HRH3CRHR1MAPTCRHBPCRHR2
SCHEMBL18724244 0.87 HRH3 (0.40) HRH3CRHR1MAPTCRHBPCRHR2
SCHEMBL18724115 0.83 TRPV4 (0.38) HRH3ACHEMLLT1TRPV4
SCHEMBL21006132 0.83 TRPV4 (0.38) HRH3ACHEMLLT1TRPV4
SCHEMBL21301054 0.83 CRHR1 (0.39) HRH3CRHR1MAPTCRHBPCRHR2

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-3153511-B1 2-ACYLAMINOTHIAZOLE DERIVATIVE FOR USE IN THE PREVENTION OR TREATMENT OF BLADDER/URINARY TRACT DISEASES ASTELLAS PHARMA INC (JP) 2019-05-15 — — EP disclosed
EP-3153511-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2017-04-12 — — EP disclosed
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