SCHEMBL11569488

SCHEMBL11569488

C=CCN(C)C1CCCC1N(C(=O)CCOC)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MITF O75030 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TRPM8 Q7Z2W7 3/20 0.36
▸ LTB4R2 Q9NPC1 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.34
▸ DRD5 P21918 2/20 0.33
▸ OPRM1 P35372 2/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ KCNA3 P22001 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM3 P20309 1/20 0.33

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
SCHEMBL11337129 0.97 MEN1 (0.40) KDM4EMEN1NPC1MITFALDH1A1
SCHEMBL11346998 0.91 KDM4E (0.34) KDM4EMEN1NPC1MITFALDH1A1
SCHEMBL11572457 0.89 TSHR (0.41) ALDH1A1SMN1; SMN2TRPM8TSHRSIGMAR1
SCHEMBL11572452 0.87 LTB4R2 (0.34) KDM4EMEN1NPC1MITFALDH1A1
SCHEMBL11347000 0.86 SIGMAR1 (0.41) ALDH1A1TRPM8TSHRSIGMAR1
SCHEMBL11465401 0.86 ALDH1A1 (0.43) KDM4EMEN1NPC1MITFALDH1A1
SCHEMBL11595372 0.83 SLC18A3 (0.50) MEN1KMT2ASIGMAR1OPRM1OPRD1
SCHEMBL11350705 0.82 ALDH1A1 (0.45) KDM4EMEN1NPC1MITFALDH1A1
SCHEMBL11437590 0.81 MEN1 (0.43) KDM4EMEN1NPC1MITFALDH1A1
SCHEMBL11334204 0.81 SLC18A3 (0.52) MEN1KMT2ASIGMAR1OPRM1OPRD1

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
US-4159340-A N-(2-Aminocyclopentyl)-N-acylanilides as CNS anti-depressants THE UPJOHN COMPANY (US) 1979-06-26 — — US disclosed
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