SCHEMBL3577656

SCHEMBL3577656

CNc1ccc(Cl)cc1C(=O)N(CCNc1ccc(Cl)cc1)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.42
SERPINE1 P05121 1/20 0.40
CCR9 P51686 8/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
PPARG P37231 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
KCNH2 Q12809 1/20 0.38
CCR2 P41597 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL3584396 0.88 C5AR1 (0.44) CNR1SERPINE1CCR9KDM4EALDH1A1
SCHEMBL3569719 0.84 SERPINE1 (0.40) CNR1SERPINE1CCR9KDM4EALDH1A1
SCHEMBL3583634 0.83 SERPINE1 (0.39) SERPINE1CCR9KDM4EALDH1A1GLA
SCHEMBL3579634 0.82 SERPINE1 (0.40) SERPINE1CCR9KDM4EALDH1A1GLA
SCHEMBL3580698 0.81 C5AR1 (0.44) CNR1CCR9KDM4EALDH1A1GLA
SCHEMBL3575609 0.81 LMNA (0.43) CNR1SERPINE1MEN1CYP1A2CYP2C19
SCHEMBL3581532 0.80 RAB9A (0.41) SERPINE1CCR9KDM4EALDH1A1GLA
SCHEMBL3581193 0.80 CCR9 (0.39) SERPINE1CCR9KDM4EALDH1A1GLA
SCHEMBL3580741 0.80 C5AR1 (0.40) SERPINE1CCR9KDM4EALDH1A1GLA
SCHEMBL3575555 0.80 F10 (0.42) SERPINE1CCR9F10

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