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SCHEMBL22348187

SCHEMBL22348187

CC(C)(C)c1nc(C23CCC(CN(C(=O)C45CC(F)(C4)C5)c4cccc(-c5ncc(OC(F)F)cn5)c4)(CC2)CC3)no1

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 2/20 0.72
▸ CYP2C9 P11712 2/20 0.72
▸ CYP2C19 P33261 2/20 0.72

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
SCHEMBL24259438 0.92 NR1H4 (1.00) NR1H4NR1I2CYP2C9CYP2C19
SCHEMBL22348109 0.92 NR1H4 (1.00) NR1H4NR1I2CYP2C9CYP2C19
SCHEMBL22348147 0.92 NR1H4 (1.00) NR1H4NR1I2CYP2C9CYP2C19
SCHEMBL22348133 0.91 NR1H4 (0.83) NR1H4NR1I2CYP2C9CYP2C19
SCHEMBL22348093 0.90 NR1H4 (1.00) NR1H4NR1I2CYP2C9CYP2C19
SCHEMBL22348550 0.90 NR1H4 (0.81) NR1H4NR1I2CYP2C9CYP2C19
SCHEMBL29458311 0.90 NR1H4 (0.81) NR1H4NR1I2CYP2C9CYP2C19
SCHEMBL22347887 0.89 NR1H4 (0.85) NR1H4
SCHEMBL22348224 0.89 NR1H4 (1.00) NR1H4NR1I2CYP2C9CYP2C19
SCHEMBL22348555 0.89 NR1H4 (0.80) 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