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Sugi Predict / Compounds / SCHEMBL20257511

SCHEMBL20257511

SCHEMBL20257511

N=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCCNC(=O)[C@@H](N)CCCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.40
▸ NAMPT P43490 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CNR1 P21554 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HDAC8 Q9BY41 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
SCHEMBL20242089 0.95 FAAH (0.41) FAAHNAMPTL3MBTL1CNR1TDP1
SCHEMBL20241402 0.95 FAAH (0.41) FAAHNAMPTL3MBTL1CNR1TDP1
SCHEMBL13054036 0.90 OPRL1 (0.43) FAAHTDP1
SCHEMBL8203469 0.90 OPRL1 (0.43) FAAHTDP1
SCHEMBL7562309 0.90 OPRL1 (0.43) FAAHTDP1
SCHEMBL20257431 0.89 FAAH (0.38) FAAHNAMPTL3MBTL1TDP1
SCHEMBL20242350 0.89 FAAH (0.43) FAAHTDP1
SCHEMBL21530786 0.89 FAAH (0.43) FAAHTDP1
SCHEMBL20257513 0.88 PTAFR (0.40) FAAHNAMPTKMT2AHDAC8
SCHEMBL8208654 0.84 FAAH (0.47) FAAHL3MBTL1TDP1

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-2018106519-A1 HETEROCYCLIC COMPOUNDS AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-06-14 — — WO disclosed