SCHEMBL11331824

SCHEMBL11331824

CC1CCC(C(=O)N(c2ccccc2)C2CCCCCC2N(C)C)CC1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ MITF O75030 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ PAX8 Q06710 1/20 0.36
▸ FASN P49327 3/20 0.36
▸ HTT P42858 1/20 0.35
▸ TRPM8 Q7Z2W7 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ OPRM1 P35372 3/20 0.34
▸ OPRD1 P41143 2/20 0.34

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
SCHEMBL11455130 0.97 MEN1 (0.39) PKMMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL11338296 0.81 ALDH1A1 (0.38) PKMMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL11341151 0.81 MEN1 (0.40) PKMMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL11341256 0.80 MEN1 (0.43) PKMMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL11466004 0.78 ALDH1A1 (0.36) PKMMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL11465708 0.78 CHRM2 (0.40) PKMMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL11330925 0.77 KMT2A (0.39) PKMMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL11331790 0.75 ALDH1A1 (0.47) PKMMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL11447045 0.74 CHRM2 (0.40) PKMMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL11341610 0.74 KDM4E (0.50) MEN1KMT2ASMN1; SMN2KDM4ENPC1

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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