SCHEMBL11437542

SCHEMBL11437542

O=C(CCBr)N(c1ccccc1)C1CCCC1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MITF O75030 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ PAX8 Q06710 1/20 0.46
▸ SLC18A3 Q16572 3/20 0.41
▸ MLYCD O95822 1/20 0.40
▸ OPRD1 P41143 4/20 0.39
▸ OPRM1 P35372 3/20 0.39
▸ OPRK1 P41145 2/20 0.39
▸ CHRM2 P08172 2/20 0.39
▸ CHRM3 P20309 2/20 0.39
▸ TRPM8 Q7Z2W7 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NCOA1 Q15788 1/20 0.36

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
SCHEMBL11436334 0.85 NPC1 (0.43) MEN1KMT2AMITFALDH1A1SMN1; SMN2
SCHEMBL11446742 0.85 MEN1 (0.45) MEN1KMT2AMITFALDH1A1SMN1; SMN2
SCHEMBL11448317 0.85 ALDH1A1 (0.45) MEN1KMT2AMITFALDH1A1SMN1; SMN2
SCHEMBL11434729 0.83 OPRM1 (0.50) MEN1KMT2AMITFALDH1A1SMN1; SMN2
SCHEMBL11434731 0.83 OPRM1 (0.50) MEN1KMT2AMITFALDH1A1SMN1; SMN2
SCHEMBL11437590 0.83 MEN1 (0.43) MEN1KMT2AMITFALDH1A1SMN1; SMN2
SCHEMBL11454746 0.82 SIGMAR1 (0.51) MEN1KMT2AMITFALDH1A1SMN1; SMN2
SCHEMBL11546924 0.81 MEN1 (0.47) MEN1KMT2AMITFALDH1A1SMN1; SMN2
SCHEMBL11338362 0.81 KDM4E (0.47) MEN1KMT2AMITFALDH1A1SMN1; SMN2
SCHEMBL11437770 0.80 ALDH1A1 (0.40) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4217362-A Anilide derivatives as antidepressants THE UPJOHN COMPANY (US) 1980-08-12 — — US disclosed
US-4212888-A Anilide derivatives as antidepressants THE UPJOHN COMPANY (US) 1980-07-15 — — US disclosed
US-4128663-A Anilide derivatives as antidepressants THE UPJOHN COMPANY (US) 1978-12-05 — — US disclosed
Send feedback