SCHEMBL11331266

SCHEMBL11331266

O=C(CCCl)N(c1ccc(Cl)cc1)C1CCCCCC1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MITF O75030 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ PAX8 Q06710 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ HPGD P15428 1/20 0.34
▸ SLC18A3 Q16572 1/20 0.34
▸ EPHX1 P07099 1/20 0.34
▸ AGER Q15109 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ MLYCD O95822 1/20 0.34
▸ SLC6A9 P48067 1/20 0.33

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
SCHEMBL11434770 0.96 MEN1 (0.39) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL11332175 0.87 SIGMAR1 (0.42) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL11546724 0.86 MEN1 (0.40) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL11341323 0.85 CNR2 (0.43) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL11436730 0.84 ALDH1A1 (0.38) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL11434897 0.84 MEN1 (0.39) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL11446841 0.83 SIGMAR1 (0.40) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL11335003 0.83 SIGMAR1 (0.55) SMN1; SMN2RAB9AMEN1KMT2AALDH1A1
SCHEMBL11344642 0.83 SIGMAR1 (0.55) SMN1; SMN2RAB9AMEN1KMT2AALDH1A1
SCHEMBL11547950 0.83 NPC1 (0.38) SMN1; SMN2NPC1RAB9AMEN1KMT2A

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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