SCHEMBL3580741

SCHEMBL3580741

CNc1ccc(Cl)cc1C(=O)N(CCc1ccc2ccccc2c1)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.40
F2 P00734 3/20 0.39
F10 P00742 3/20 0.39
F7 P08709 3/20 0.39
SERPINE1 P05121 1/20 0.39
LPAR1 Q92633 2/20 0.38
LPAR5 Q9H1C0 1/20 0.38
MC4R P32245 2/20 0.38
MC5R P33032 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
CCR9 P51686 3/20 0.37
LPAR2 Q9HBW0 1/20 0.37
CCR2 P41597 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
KCNH2 Q12809 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL3584396 0.89 C5AR1 (0.44) C5AR1F10SERPINE1LPAR1LPAR5
SCHEMBL3579634 0.88 SERPINE1 (0.40) C5AR1SERPINE1KDM4EALDH1A1GLA
SCHEMBL3583634 0.86 SERPINE1 (0.39) C5AR1SERPINE1KDM4EALDH1A1GLA
SCHEMBL3575609 0.85 LMNA (0.43) C5AR1SERPINE1LPAR1LPAR5LMNA
SCHEMBL3581193 0.85 CCR9 (0.39) C5AR1F10SERPINE1KDM4EALDH1A1
SCHEMBL3569982 0.84 LPAR1 (0.41) C5AR1SERPINE1LPAR1LPAR5ALDH1A1
SCHEMBL3587595 0.83 C5AR1 (0.49) C5AR1LPAR1LPAR5LMNAMEN1
SCHEMBL3581532 0.83 RAB9A (0.41) SERPINE1LPAR1LPAR5KDM4EALDH1A1
SCHEMBL3575555 0.81 F10 (0.42) F10SERPINE1CCR9
SCHEMBL3575452 0.81 KMT2A (0.42) C5AR1ALDH1A1GLANPC1MEN1

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
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US claimed
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed