SCHEMBL11333539

SCHEMBL11333539

CC1CCCC(N(C(=O)C2CC2Cl)c2ccccc2)C(N(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MITF O75030 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ PKM P14618 2/20 0.36
▸ CHRM2 P08172 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ TRPM8 Q7Z2W7 2/20 0.33
▸ OPRK1 P41145 3/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ OPRM1 P35372 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL11446668 0.91 MEN1 (0.36) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL11330704 0.90 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL11446751 0.86 SMN1; SMN2 (0.38) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL11446586 0.84 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL11332174 0.81 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL11341126 0.80 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL11334031 0.79 TP53 (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL11465708 0.77 CHRM2 (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL11466004 0.77 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL11341256 0.77 MEN1 (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E

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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