SCHEMBL11285295

SCHEMBL11285295

O=C(NC(=O)c1ccccc1Br)Nc1cnn(C2CCCCC2)c(=O)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ PYGL P06737 1/20 0.41
▸ LMNA P02545 2/20 0.39
▸ RECQL P46063 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ALPL P05186 1/20 0.38
▸ ALPI P09923 1/20 0.38
▸ ALPG P10696 1/20 0.38
▸ F2R P25116 1/20 0.38
▸ CNR1 P21554 1/20 0.36
▸ ITGA4 P13612 1/20 0.36
▸ ITGB7 P26010 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NR3C1 P04150 1/20 0.35

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
SCHEMBL11282236 0.90 CNR2 (0.48) CNR2ALDH1A1PYGLLMNAITGA4
SCHEMBL11278294 0.82 CNR2 (0.49) CNR2ALDH1A1NPSR1ITGA4ITGB7
SCHEMBL11276064 0.78 HTT (0.46) ALDH1A1CYP1A2PYGLLMNANPSR1
SCHEMBL11274211 0.78 PYGL (0.43) ALDH1A1CYP1A2CYP2C19PYGLLMNA
SCHEMBL11273034 0.73 SMN1; SMN2 (0.41) ALDH1A1CYP1A2PYGLNPSR1KMT2A
SCHEMBL11271650 0.72 RXFP1 (0.46) CYP1A2KMT2A
SCHEMBL11276626 0.70 NPC1 (0.49) ALDH1A1CYP1A2PYGLLMNANPSR1
SCHEMBL26014019 0.69 CNR2 (0.69) CNR2CYP1A2CNR1
SCHEMBL11285219 0.68 PYGL (0.46) ALDH1A1CYP1A2CYP2C19PYGLLMNA
SCHEMBL11267025 0.68 HTT (0.48) ALDH1A1CYP1A2PYGLLMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0063413-A1 1-Benzoyl-3-(heterocyclic)ureas, compositions, and insecticidal method ELI LILLY AND COMPANY (US) 1982-10-27 — — EP claimed
US-4366155-A 1-Benzoyl-3-(6-oxopyridazinyl)ureas, compositions, and insecticidal method ELI LILLY AND COMPANY (US) 1982-12-28 — — US disclosed
EP-0063413-A1 1-Benzoyl-3-(heterocyclic)ureas, compositions, and insecticidal method ELI LILLY AND COMPANY (US) 1982-10-27 — — EP disclosed
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