SCHEMBL11446742

SCHEMBL11446742

NC1CCCC1N(C(=O)CCBr)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MITF O75030 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ PAX8 Q06710 1/20 0.45
▸ OPRD1 P41143 5/20 0.39
▸ MLYCD O95822 1/20 0.39
▸ OPRM1 P35372 5/20 0.38
▸ OPRK1 P41145 3/20 0.38
▸ CHRM2 P08172 3/20 0.38
▸ CHRM3 P20309 3/20 0.38
▸ TRPM8 Q7Z2W7 2/20 0.36
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NCOA1 Q15788 1/20 0.35
▸ NCOA3 Q9Y6Q9 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
SCHEMBL11546924 0.96 MEN1 (0.47) MEN1KMT2AMITFALDH1A1SMN1; SMN2
SCHEMBL11437542 0.85 MEN1 (0.46) MEN1KMT2AMITFALDH1A1SMN1; SMN2
SCHEMBL11448317 0.84 ALDH1A1 (0.45) MEN1KMT2AMITFALDH1A1SMN1; SMN2
SCHEMBL11454746 0.81 SIGMAR1 (0.51) MEN1KMT2AMITFALDH1A1SMN1; SMN2
SCHEMBL11338362 0.80 KDM4E (0.47) MEN1KMT2AMITFALDH1A1SMN1; SMN2
SCHEMBL11550133 0.79 ALDH1A1 (0.49) MEN1KMT2AMITFALDH1A1SMN1; SMN2
SCHEMBL11546721 0.79 ALDH1A1 (0.49) MEN1KMT2AMITFALDH1A1SMN1; SMN2
SCHEMBL11437770 0.79 ALDH1A1 (0.40) MEN1KMT2AMITFALDH1A1SMN1; SMN2
SCHEMBL11331578 0.78 ALDH1A1 (0.40) MEN1KMT2AMITFALDH1A1SMN1; SMN2
SCHEMBL11339650 0.77 SIGMAR1 (0.53) MEN1KMT2AMITFALDH1A1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4204003-A N-(2-Aminocyclopentyl)-N-alkanoylanilides as CNS anti-depressants THE UPJOHN COMPANY (US) 1980-05-20 — — US disclosed
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