SCHEMBL1666054

SCHEMBL1666054

NC(=O)Oc1cccc(C(F)(F)F)c1Cc1ccncc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.38
▸ MRGPRX4 Q96LA9 2/20 0.38
▸ NOTUM Q6P988 1/20 0.38
▸ RXRA P19793 1/20 0.38
▸ RXRB P28702 1/20 0.38
▸ RXRG P48443 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ CYP17A1 P05093 1/20 0.37
▸ TYK2 P29597 1/20 0.36
▸ P2RX7 Q99572 1/20 0.35
▸ TAAR1 Q96RJ0 2/20 0.35
▸ PPARG P37231 1/20 0.35
▸ NR3C2 P08235 1/20 0.35
▸ KIF11 P52732 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NAMPT P43490 1/20 0.34
▸ CYP19A1 P11511 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HTT P42858 1/20 0.34

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
SCHEMBL17593430 0.72 RXRA (0.50) MRGPRX4NOTUMRXRARXRBRXRG
SCHEMBL1666056 0.72 KIF11 (0.43) CYP17A1NR3C2KIF11
SCHEMBL27459331 0.72 HTT (0.42) MAPTMRGPRX4RXRARXRBRXRG
SCHEMBL11128722 0.70 MRGPRX4 (0.44) MRGPRX4RXRARXRBRXRGTAAR1
SCHEMBL2635568 0.67 KIF11 (0.42) MAPTKIF11
SCHEMBL4565768 0.67 AKR1C3 (0.43) MRGPRX4RXRARXRBRXRGLMNA
SCHEMBL29392318 0.67 CYP17A1 (0.51) MAPTLMNACYP17A1SMN1; SMN2CYP19A1
SCHEMBL29260073 0.67 CYP17A1 (0.56) MAPTLMNACYP17A1KIF11SMN1; SMN2
Hydrochloric Acid SCHEMBL26136590 0.66 TRPV1 (0.41) MAPTKIF11
SCHEMBL27663235 0.66 MPL (0.43) MRGPRX4RXRARXRBRXRGPPARG

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2313094-A1 NEW PYRIDINE DERIVATIVES AS LEPTIN RECEPTOR MODULATOR MIMETICS AstraZeneca AB (SE) 2011-04-27 — — EP claimed
WO-2009147216-A1 NEW PYRIDINE DERIVATIVES AS LEPTIN RECEPTOR MODULATOR MIMETICS BIOVITRUM AB (PUBL) (SE) 2009-12-10 — — WO claimed
EP-2313094-A1 NEW PYRIDINE DERIVATIVES AS LEPTIN RECEPTOR MODULATOR MIMETICS AstraZeneca AB (SE) 2011-04-27 — — EP disclosed
WO-2009147216-A1 NEW PYRIDINE DERIVATIVES AS LEPTIN RECEPTOR MODULATOR MIMETICS BIOVITRUM AB (PUBL) (SE) 2009-12-10 — — WO disclosed
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