SCHEMBL11741176

SCHEMBL11741176

O=C(N=C1CCCN1Cc1ccccc1)Nc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.53
▸ DHODH Q02127 1/20 0.51
▸ FAAH O00519 1/20 0.51
▸ RAB9A P51151 4/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ LTA4H P09960 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.48
▸ MAPT P10636 2/20 0.48
▸ HRH3 Q9Y5N1 1/20 0.48
▸ HTT P42858 1/20 0.47

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
SCHEMBL11741169 1.00 LMNA (0.53) LMNADHODHFAAHRAB9ANPC1
SCHEMBL11742211 0.88 SLC6A3 (0.50) LMNAFAAHSMN1; SMN2ALDH1A1MAPT
SCHEMBL11742215 0.88 SLC6A3 (0.50) LMNAFAAHSMN1; SMN2ALDH1A1MAPT
SCHEMBL11740171 0.86 GRM5 (0.54) LMNADHODHRAB9ANPC1SMN1; SMN2
SCHEMBL11740168 0.86 GRM5 (0.54) LMNADHODHRAB9ANPC1SMN1; SMN2
SCHEMBL8326098 0.84 L3MBTL1 (0.52) FAAHRAB9ANPC1ALDH1A1MAPT
SCHEMBL8326096 0.84 L3MBTL1 (0.52) FAAHRAB9ANPC1ALDH1A1MAPT
SCHEMBL11740161 0.83 RAB9A (0.53) LMNADHODHFAAHRAB9ANPC1
SCHEMBL11741509 0.83 RAB9A (0.53) LMNADHODHFAAHRAB9ANPC1
SCHEMBL11742256 0.82 EPHX2 (0.54) LMNADHODHRAB9ANPC1SMN1; SMN2

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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