SCHEMBL20619910

SCHEMBL20619910

CCNC(=O)c1ccc(NC(=O)c2cc(C)cnc2N2CC3(CCOCC3)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SCN10A Q9Y5Y9 1/20 0.40
▸ MTOR P42345 2/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ DGAT1 O75907 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL20598038 0.89 SCN10A (0.42) MAPTCYP1A2CYP2C19NPC1TP53
SCHEMBL20597986 0.87 MAPK1 (0.42) MAPTCYP1A2CYP2C19NPC1TP53
SCHEMBL24187965 0.84 MAPT (0.41) MAPTCYP1A2CYP2C19NPC1TP53
SCHEMBL20619600 0.84 SCN10A (0.42) MAPTCYP1A2CYP2C19NPC1TP53
SCHEMBL20619496 0.84 SCN10A (0.42) MAPTCYP1A2TP53RAB9ASCN10A
SCHEMBL24187976 0.76 LMNA (0.43) MAPTCYP1A2NPC1TP53RAB9A
SCHEMBL17678702 0.76 OGA (0.38) —
SCHEMBL17674350 0.76 OGA (0.38) PIK3CA
SCHEMBL20618302 0.75 MTOR (0.42) MTORPIK3CAPIK3CGLMNASMN1; SMN2
SCHEMBL17674213 0.75 ALOX15 (0.43) MAPTTP53PKMMAPK1PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019006295-A1 HETEROCYCLIC COMPOUNDS AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2019-01-03 — — WO disclosed
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