SCHEMBL22211449

SCHEMBL22211449

NCC(=O)CCc1cccc(F)c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.59
FFAR1 O14842 1/20 0.48
NR3C2 P08235 1/20 0.47
CASP3 P42574 1/20 0.46
CASP7 P55210 1/20 0.46
SLC1A1 P43005 2/20 0.45
IDO1 P14902 2/20 0.44
AGXT P21549 2/20 0.44
DAO P14920 1/20 0.44
MAOB P27338 1/20 0.43
PARP10 Q53GL7 1/20 0.43
CNR1 P21554 1/20 0.43

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
SCHEMBL7340106 0.89 TAAR1 (0.57) TAAR1FFAR1NR3C2CASP3CASP7
SCHEMBL23901663 0.83 IAPP (0.56) TAAR1FFAR1NR3C2CASP3CASP7
SCHEMBL30344632 0.82 TAAR1 (0.58) TAAR1FFAR1NR3C2CASP3CASP7
SCHEMBL2857831 0.82 TAAR1 (0.58) TAAR1FFAR1NR3C2CASP3CASP7
SCHEMBL26343023 0.81 FFAR1 (0.57) TAAR1FFAR1NR3C2CASP3CASP7
Hydrochloric Acid SCHEMBL1150988 0.81 TAAR1 (0.52) TAAR1CASP3CASP7SLC1A1IDO1
SCHEMBL334758 0.80 FFAR1 (0.68) TAAR1FFAR1CASP3CASP7
SCHEMBL28530595 0.80 TAAR1 (0.47) TAAR1FFAR1NR3C2CASP3CASP7
SCHEMBL4659299 0.79 TAAR1 (0.59) TAAR1FFAR1NR3C2CASP3CASP7
SCHEMBL3946037 0.79 TAAR1 (0.46) TAAR1FFAR1NR3C2CASP3CASP7

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-2975030-B1 DIHYDROPYRIDAZINE-3,5-DIONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2020-07-15 EP disclosed