SCHEMBL11330943

SCHEMBL11330943

CN(C)C1CCCCCC1N(C(=O)CCCl)c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MITF O75030 1/20 0.39
▸ PAX8 Q06710 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ AGTR2 P50052 1/20 0.38
▸ TACR1 P25103 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ HRH3 Q9Y5N1 3/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ MLYCD O95822 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.33
▸ DDB1 Q16531 1/20 0.33
▸ CRBN Q96SW2 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
SCHEMBL11446847 0.96 MEN1 (0.41) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL11332175 0.90 SIGMAR1 (0.42) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL11341133 0.89 RAB9A (0.40) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL11338205 0.87 MITF (0.53) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL11446841 0.86 SIGMAR1 (0.40) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL11446547 0.85 NPC1 (0.38) MEN1KMT2AALDH1A1NPC1RAB9A
Fumaric Acid SCHEMBL11332169 0.83 MEN1 (0.39) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL11446684 0.83 ALDH1A1 (0.51) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL11438327 0.81 MEN1 (0.39) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL11341323 0.80 CNR2 (0.43) MEN1KMT2AALDH1A1NPC1RAB9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE30837-E ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1981-12-29 — — US disclosed
US-4199589-A N-(2-Aminocycloheptyl)acylanilides and methods to treat depression SZMUSZKOVICZ JACOB (US) 1980-04-22 — — US disclosed
US-4172898-A N-(2-aminocycloheptyl)acylanilides THE UPJOHN COMPANY (US) 1979-10-30 — — US disclosed
US-4169156-A ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1979-09-25 — — US disclosed
US-4159339-A ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1979-06-26 — — US disclosed
US-4156014-A N-(2-aminocycloheptyl)alkanoylanilides and in the treatment of depression THE UPJOHN COMPANY (US) 1979-05-22 — — US disclosed
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