SCHEMBL3584396

SCHEMBL3584396

CNc1ccc(Cl)cc1C(=O)N(CCc1ccc(Cl)cc1)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.44
SERPINE1 P05121 1/20 0.43
CNR1 P21554 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
ESRRG P62508 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
KCNH2 Q12809 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CCR9 P51686 2/20 0.40
ESRRB O95718 1/20 0.40
CCR2 P41597 1/20 0.40
LPAR1 Q92633 1/20 0.38

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
SCHEMBL3579634 0.92 SERPINE1 (0.40) C5AR1SERPINE1KDM4EALDH1A1GLA
SCHEMBL3580698 0.91 C5AR1 (0.44) C5AR1CNR1KDM4EALDH1A1GLA
SCHEMBL3583634 0.90 SERPINE1 (0.39) C5AR1SERPINE1KDM4EALDH1A1GLA
SCHEMBL3569921 0.90 SERPINE1 (0.47) C5AR1SERPINE1CNR1KDM4EESRRG
SCHEMBL3581531 0.90 C5AR1 (0.43) C5AR1SERPINE1CNR1KDM4EALDH1A1
SCHEMBL3587595 0.89 C5AR1 (0.49) C5AR1CNR1ESRRGMEN1CYP1A2
SCHEMBL3580741 0.89 C5AR1 (0.40) C5AR1SERPINE1KDM4EALDH1A1GLA
SCHEMBL3581193 0.89 CCR9 (0.39) C5AR1SERPINE1KDM4EALDH1A1GLA
SCHEMBL3577159 0.89 C5AR1 (0.42) C5AR1KDM4EALDH1A1GLAGAA
SCHEMBL3571491 0.89 C5AR1 (0.42) C5AR1KDM4EALDH1A1GLAGAA

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