SCHEMBL11331091

SCHEMBL11331091

CN(C)C1CCCCCC1N(C(=O)C(CCl)CCl)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.49
▸ MITF O75030 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ PAX8 Q06710 1/20 0.49
▸ ATM Q13315 1/20 0.40
▸ PKM P14618 2/20 0.40
▸ TRPM8 Q7Z2W7 2/20 0.38
▸ LMNA P02545 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ NCOA1 Q15788 1/20 0.36
▸ NCOA3 Q9Y6Q9 1/20 0.36
▸ SLC18A3 Q16572 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SIGMAR1 Q99720 2/20 0.35

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
SCHEMBL11446503 0.96 ALDH1A1 (0.47) ALDH1A1MITFSMN1; SMN2KDM4EMEN1
SCHEMBL11336436 0.81 MITF (0.49) ALDH1A1MITFSMN1; SMN2KDM4EMEN1
SCHEMBL11338205 0.81 MITF (0.53) ALDH1A1MITFSMN1; SMN2KDM4EMEN1
SCHEMBL11331790 0.79 ALDH1A1 (0.47) ALDH1A1MITFSMN1; SMN2KDM4EMEN1
SCHEMBL11341610 0.79 KDM4E (0.50) ALDH1A1MITFSMN1; SMN2KDM4EMEN1
SCHEMBL11447586 0.78 MITF (0.47) ALDH1A1MITFSMN1; SMN2KDM4EMEN1
SCHEMBL11446684 0.76 ALDH1A1 (0.51) ALDH1A1MITFSMN1; SMN2KDM4EMEN1
SCHEMBL11330415 0.76 KDM4E (0.48) ALDH1A1MITFSMN1; SMN2KDM4EMEN1
SCHEMBL11338362 0.75 KDM4E (0.47) ALDH1A1MITFSMN1; SMN2KDM4EMEN1
SCHEMBL11332192 0.75 KDM4E (0.47) ALDH1A1MITFSMN1; SMN2KDM4EMEN1

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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