SCHEMBL11344631

SCHEMBL11344631

CCC(=S)N(c1ccc(Br)cc1)C1CCCCCC1N(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ SIGMAR1 Q99720 1/20 0.35
▸ LMNA P02545 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ CHRM2 P08172 2/20 0.32
▸ CHRM3 P20309 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ HRH3 Q9Y5N1 4/20 0.31
▸ KCNH2 Q12809 3/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 2/20 0.30
▸ TNNI3 P19429 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ PPARG P37231 1/20 0.30
▸ TNNT2 P45379 1/20 0.30
▸ TNNC1 P63316 1/20 0.30
▸ NCOA2 Q15596 1/20 0.30

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
SCHEMBL11334220 0.84 MEN1 (0.44) MEN1KMT2ASIGMAR1CHRM2CHRM3
SCHEMBL11456891 0.80 MEN1 (0.42) MEN1KMT2ASIGMAR1CHRM2CHRM3
SCHEMBL11331580 0.76 SIGMAR1 (0.41) MEN1KMT2ASIGMAR1LMNASMN1; SMN2
SCHEMBL11481378 0.75 MEN1 (0.39) MEN1KMT2ASIGMAR1LMNACHRM2
SCHEMBL11338282 0.75 MEN1 (0.36) MEN1KMT2ASIGMAR1LMNASMN1; SMN2
SCHEMBL11344628 0.74 ALDH1A1 (0.33) MEN1KMT2ASIGMAR1LMNASMN1; SMN2
SCHEMBL11446906 0.72 SIGMAR1 (0.39) MEN1KMT2ASIGMAR1LMNASMN1; SMN2
SCHEMBL11347007 0.71 SIGMAR1 (0.43) MEN1KMT2ASIGMAR1SMN1; SMN2POLB
SCHEMBL11465431 0.71 HPGD (0.39) MEN1KMT2ASIGMAR1LMNACHRM2
SCHEMBL11446572 0.70 MEN1 (0.34) MEN1KMT2ASIGMAR1SMN1; SMN2CHRM2

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 5 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
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