SCHEMBL11346142

SCHEMBL11346142

C[N+](C)(C)CCNC1CC(Cl)CCCC1N(C(=O)CCCl)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ MITF O75030 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ PAX8 Q06710 1/20 0.41
▸ HTT P42858 3/20 0.34
▸ LMNA P02545 3/20 0.34
▸ NCOA1 Q15788 1/20 0.34
▸ NCOA3 Q9Y6Q9 1/20 0.34
▸ OPRD1 P41143 5/20 0.33
▸ POLB P06746 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CHRM2 P08172 3/20 0.32
▸ CHRM3 P20309 3/20 0.32
▸ OPRM1 P35372 3/20 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
SCHEMBL11446936 0.91 ALDH1A1 (0.38) ALDH1A1KMT2AMITFSMN1; SMN2NPC1
SCHEMBL11551320 0.87 ALDH1A1 (0.43) ALDH1A1KMT2AMITFSMN1; SMN2NPC1
SCHEMBL11547947 0.84 ALDH1A1 (0.44) ALDH1A1KMT2AMITFSMN1; SMN2NPC1
SCHEMBL11548568 0.84 ALDH1A1 (0.44) ALDH1A1KMT2AMITFSMN1; SMN2NPC1
SCHEMBL11331146 0.84 MEN1 (0.42) ALDH1A1KMT2AMITFSMN1; SMN2NPC1
SCHEMBL11341461 0.82 KMT2A (0.40) ALDH1A1KMT2AMITFSMN1; SMN2NPC1
SCHEMBL11339668 0.82 KMT2A (0.40) ALDH1A1KMT2AMITFSMN1; SMN2NPC1
SCHEMBL11546721 0.79 ALDH1A1 (0.49) ALDH1A1KMT2AMITFSMN1; SMN2NPC1
SCHEMBL11550133 0.79 ALDH1A1 (0.49) ALDH1A1KMT2AMITFSMN1; SMN2NPC1
SCHEMBL11336631 0.78 ALDH1A1 (0.46) ALDH1A1KMT2AMITFSMN1; SMN2NPC1

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
Send feedback