SCHEMBL23009449

SCHEMBL23009449

C=C(C)CCc1cccc(C#N)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 3/20 0.48
▸ FFAR4 Q5NUL3 1/20 0.48
▸ GLA P06280 1/20 0.45
▸ HTR2B P41595 1/20 0.43
▸ CNR1 P21554 1/20 0.42
▸ IDH1 O75874 1/20 0.42
▸ MEP1A Q16819 1/20 0.41
▸ MEP1B Q16820 1/20 0.41
▸ CYP19A1 P11511 1/20 0.40
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ ENPP2 Q13822 1/20 0.40
▸ KCNJ1 P48048 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ FOLH1 Q04609 1/20 0.39
▸ MRGPRX4 Q96LA9 1/20 0.38

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
SCHEMBL6364918 0.83 FFAR1 (0.55) FFAR1FFAR4GLAHTR2BCNR1
SCHEMBL27718564 0.83 GLA (0.49) FFAR1FFAR4GLAHTR2BCNR1
SCHEMBL13756109 0.83 GLA (0.47) FFAR1FFAR4GLAHTR2BIDH1
SCHEMBL1554681 0.82 ALDH1A1 (0.43) LMNAMEN1KMT2A
SCHEMBL19062339 0.81 FFAR1 (0.49) FFAR1FFAR4GLAHTR2BCNR1
SCHEMBL28865565 0.80 HTR2B (0.50) FFAR1FFAR4GLAHTR2BCNR1
SCHEMBL28248372 0.80 HTR2B (0.54) FFAR1FFAR4GLAHTR2BCNR1
SCHEMBL2154019 0.80 GLA (0.53) FFAR1FFAR4GLAHTR2BCNR1
SCHEMBL3109008 0.80 FFAR1 (0.54) FFAR1FFAR4GLAHTR2BCNR1
SCHEMBL7335965 0.79 FFAR1 (0.57) FFAR1FFAR4GLAHTR2BCNR1

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-3778576-A1 2-CYANOPYRIMIDIN-4-YL CARBAMATE OR UREA DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME Hanlim Pharmaceutical Co., Ltd. (KR) 2021-02-17 — — EP disclosed
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