SCHEMBL11331580

SCHEMBL11331580

CN(C)C1CCCCCC1N(C(=O)CCBr)c1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.41
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ CHRM2 P08172 2/20 0.36
▸ CHRM3 P20309 2/20 0.36
▸ MLYCD O95822 1/20 0.35
▸ HRH3 Q9Y5N1 4/20 0.35
▸ KCNH2 Q12809 3/20 0.35
▸ LMNA P02545 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MITF O75030 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ PAX8 Q06710 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CTDSP1 Q9GZU7 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
SCHEMBL11446906 0.96 SIGMAR1 (0.39) SIGMAR1KMT2AMEN1CHRM2CHRM3
SCHEMBL11338362 0.88 KDM4E (0.47) SIGMAR1KMT2AMEN1CHRM2CHRM3
SCHEMBL11334220 0.87 MEN1 (0.44) SIGMAR1KMT2AMEN1CHRM2CHRM3
SCHEMBL11481378 0.85 MEN1 (0.39) SIGMAR1KMT2AMEN1CHRM2CHRM3
SCHEMBL11448317 0.84 ALDH1A1 (0.45) SIGMAR1KMT2AMEN1CHRM2CHRM3
SCHEMBL11456891 0.83 MEN1 (0.42) SIGMAR1KMT2AMEN1CHRM2CHRM3
SCHEMBL11341263 0.81 SIGMAR1 (0.55) SIGMAR1KMT2AMEN1HRH3KCNH2
SCHEMBL11465431 0.81 HPGD (0.39) SIGMAR1KMT2AMEN1CHRM2CHRM3
SCHEMBL11350694 0.79 L3MBTL1 (0.45) SIGMAR1KMT2AMEN1CHRM2CHRM3
SCHEMBL11330943 0.79 MEN1 (0.40) SIGMAR1KMT2AMEN1MLYCDHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4156014-A N-(2-aminocycloheptyl)alkanoylanilides and in the treatment of depression THE UPJOHN COMPANY (US) 1979-05-22 — — US claimed
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
Send feedback