Sugi Predict

Sugi Predict / Compounds / SCHEMBL22348141

SCHEMBL22348141

SCHEMBL22348141

O=C(O)/C=C/c1cccc(NCC23CCC(c4nc(C5CCOCC5)no4)(CC2)CC3)c1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 20/20 0.49
▸ NR1I2 O75469 7/20 0.46
▸ CYP2C9 P11712 7/20 0.46
▸ CYP2C19 P33261 7/20 0.46

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
SCHEMBL22347795 0.95 NR1H4 (0.53) NR1H4NR1I2CYP2C9CYP2C19
SCHEMBL22350265 0.91 NR1H4 (0.60) NR1H4NR1I2CYP2C9CYP2C19
SCHEMBL29900945 0.91 NR1H4 (0.60) NR1H4NR1I2CYP2C9CYP2C19
SCHEMBL22348042 0.86 NR1H4 (0.49) NR1H4NR1I2CYP2C9CYP2C19
SCHEMBL29901052 0.86 NR1H4 (0.65) NR1H4NR1I2CYP2C9CYP2C19
SCHEMBL22350432 0.86 NR1H4 (0.65) NR1H4NR1I2CYP2C9CYP2C19
SCHEMBL22347967 0.84 PIM2 (0.45) NR1H4
SCHEMBL22347581 0.83 NR1H4 (0.51) NR1H4CYP2C9
SCHEMBL22350263 0.83 NR1H4 (0.42) NR1H4NR1I2CYP2C9CYP2C19
SCHEMBL22348173 0.81 NR1H4 (0.52) NR1H4NR1I2CYP2C9CYP2C19

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-3924329-A2 SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2021-12-22 — — EP disclosed
WO-2020168152-A2 SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-20 — — WO disclosed