SCHEMBL11436334

SCHEMBL11436334

O=C(CCC(F)(F)F)N(c1ccccc1)C1CCCC1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MITF O75030 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ PAX8 Q06710 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MLYCD O95822 1/20 0.42
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ SLC18A3 Q16572 3/20 0.39
▸ TRPM8 Q7Z2W7 1/20 0.38
▸ OPRM1 P35372 3/20 0.37
▸ OPRD1 P41143 5/20 0.37
▸ OPRK1 P41145 2/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ CHRM3 P20309 1/20 0.37

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
SCHEMBL11446508 0.86 NPC1 (0.42) NPC1MEN1KMT2AKDM4EMITF
SCHEMBL11437542 0.85 MEN1 (0.46) NPC1MEN1KMT2AKDM4EMITF
SCHEMBL11465317 0.83 MLYCD (0.40) NPC1MEN1KMT2AKDM4EMITF
SCHEMBL11333535 0.82 NPC1 (0.44) NPC1MEN1KMT2AKDM4EMITF
SCHEMBL11438624 0.82 MLYCD (0.39) NPC1MEN1KMT2AKDM4EMITF
SCHEMBL11456877 0.81 NPC1 (0.47) NPC1MEN1KMT2AKDM4EMITF
SCHEMBL11436426 0.80 MLYCD (0.42) NPC1MEN1KMT2AKDM4EMITF
SCHEMBL11336349 0.80 SIGMAR1 (0.50) NPC1MEN1KMT2AKDM4EMITF
SCHEMBL11552261 0.80 NPC1 (0.41) NPC1MEN1KMT2AKDM4EMITF
SCHEMBL11336355 0.80 SIGMAR1 (0.50) NPC1MEN1KMT2AKDM4EMITF

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
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