SCHEMBL3685681

SCHEMBL3685681

O=C(O)N(Cc1ccccc1)CN1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.55
▸ CHRM4 P08173 1/20 0.55
▸ CHRM5 P08912 1/20 0.55
▸ CHRM1 P11229 1/20 0.55
▸ CHRM3 P20309 1/20 0.55
▸ KDM4E B2RXH2 2/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ SIGMAR1 Q99720 2/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ CXCR4 P61073 1/20 0.45
▸ DPP7 Q9UHL4 1/20 0.45
▸ SLC6A3 Q01959 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
SCHEMBL5120051 0.79 SIGMAR1 (0.53) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL15955605 0.78 NPC1 (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1189517 0.75 NPC1 (0.57) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL825414 0.75 LMNA (0.63) KDM4ETDP1LMNAALDH1A1SMN1; SMN2
SCHEMBL3603881 0.75 OPRK1 (0.52) LMNAALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL22183431 0.74 CHRM1 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL673623 0.73 LMNA (0.61) KDM4ETDP1LMNAALDH1A1SMN1; SMN2
SCHEMBL638764 0.73 LMNA (0.61) KDM4ETDP1LMNAALDH1A1SMN1; SMN2
SCHEMBL149160 0.73 LMNA (0.61) KDM4ETDP1LMNAALDH1A1SMN1; SMN2
SCHEMBL8718249 0.73 LMNA (0.61) KDM4ETDP1LMNAALDH1A1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2239260-A1 Novel compounds with antibacterial activity Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2010-10-13 — — EP disclosed
EP-1551829-A2 NOVEL COMPOUNDS WITH ANTIBACTERIAL ACTIVITY Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2005-07-13 — — EP disclosed
WO-2004035569-A2 NOVEL COMPOUNDS WITH ANTIBACTERIAL ACTIVITY Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2004-04-29 — — WO disclosed
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