SCHEMBL11741902

SCHEMBL11741902

COc1ccc(NC(=O)/N=C2/CCCN2Cc2ccccc2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ POLB P06746 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ GRM5 P41594 1/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ FPR2 P25090 1/20 0.45
▸ ACHE P22303 1/20 0.44
▸ BACE1 P56817 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ FAAH O00519 1/20 0.44

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
SCHEMBL11741909 1.00 MAPT (0.48) MAPTLMNAALDH1A1SMN1; SMN2USP2
SCHEMBL11742215 0.83 SLC6A3 (0.50) MAPTLMNAALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL11742211 0.83 SLC6A3 (0.50) MAPTLMNAALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL11740142 0.81 GRM5 (0.67) MAPTLMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL11740147 0.81 GRM5 (0.67) MAPTLMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL11737469 0.80 MEN1 (0.49) MAPTSMN1; SMN2HPGDNPC1RAB9A
SCHEMBL11737472 0.80 MEN1 (0.49) MAPTSMN1; SMN2HPGDNPC1RAB9A
SCHEMBL11737555 0.80 GRM5 (0.62) MAPTALDH1A1SMN1; SMN2L3MBTL1GRM5
SCHEMBL11737561 0.80 GRM5 (0.62) MAPTALDH1A1SMN1; SMN2L3MBTL1GRM5
SCHEMBL8326098 0.80 L3MBTL1 (0.52) MAPTALDH1A1NPC1RAB9APOLB

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-4046909-A Pyrrolidylidene, piperidylidene and hexahydroazepinylidene ureas as CNS depressants MCNEIL LABORATORIES, INCORPORATED (US) 1977-09-06 — — US disclosed
US-3998958-A Pyrrolidylidene, piperidylidene and hexahydroazepinylidene ureas as CNS depressants MCNEIL LABORATORIES, INCORPORATED (US) 1976-12-21 — — US disclosed
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