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Sugi Predict / Compounds / SCHEMBL22347488

SCHEMBL22347488

SCHEMBL22347488

CCCc1ncc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C3CC(C(F)F)C3)c2)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 20/20 1.00
▸ NR1I2 O75469 3/20 0.59
▸ CYP2C9 P11712 3/20 0.59
▸ CYP2C19 P33261 3/20 0.59

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
SCHEMBL25992199 0.92 NR1H4 (0.85) NR1H4NR1I2CYP2C9CYP2C19
SCHEMBL22347974 0.90 NR1H4 (1.00) NR1H4NR1I2CYP2C9CYP2C19
SCHEMBL22347917 0.90 NR1H4 (1.00) NR1H4NR1I2CYP2C9CYP2C19
SCHEMBL22348293 0.90 NR1H4 (0.85) NR1H4NR1I2CYP2C9CYP2C19
SCHEMBL22348200 0.89 NR1H4 (0.84) NR1H4NR1I2CYP2C9CYP2C19
SCHEMBL22348199 0.87 NR1H4 (0.80) NR1H4NR1I2CYP2C9CYP2C19
SCHEMBL22353716 0.86 NR1H4 (0.82) NR1H4NR1I2CYP2C9CYP2C19
SCHEMBL22347643 0.85 NR1H4 (0.81) NR1H4NR1I2CYP2C9CYP2C19
SCHEMBL22347481 0.84 NR1H4 (0.79) NR1H4NR1I2CYP2C9CYP2C19
SCHEMBL22347278 0.83 NR1H4 (1.00) 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-3924336-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2021-12-22 — — EP disclosed
WO-2020168143-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-20 — — WO disclosed