SCHEMBL11547947

SCHEMBL11547947

CNC1CC(Cl)CCCC1N(C(=O)CCCl)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ MITF O75030 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ PAX8 Q06710 1/20 0.44
▸ CHRM2 P08172 2/20 0.36
▸ CHRM3 P20309 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ NCOA1 Q15788 1/20 0.36
▸ NCOA3 Q9Y6Q9 1/20 0.36
▸ OPRD1 P41143 5/20 0.35
▸ POLB P06746 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ OPRM1 P35372 5/20 0.34
▸ SIGMAR1 Q99720 1/20 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
SCHEMBL11548568 1.00 ALDH1A1 (0.44) ALDH1A1KMT2AMITFSMN1; SMN2MEN1
SCHEMBL11550110 0.91 MEN1 (0.41) ALDH1A1KMT2AMITFSMN1; SMN2MEN1
SCHEMBL11465583 0.91 ALDH1A1 (0.48) ALDH1A1KMT2AMITFSMN1; SMN2MEN1
SCHEMBL11447348 0.89 ALDH1A1 (0.40) ALDH1A1KMT2AMITFSMN1; SMN2MEN1
SCHEMBL11446728 0.89 ALDH1A1 (0.40) ALDH1A1KMT2AMITFSMN1; SMN2MEN1
SCHEMBL11551320 0.89 ALDH1A1 (0.43) ALDH1A1KMT2AMITFSMN1; SMN2MEN1
SCHEMBL11550585 0.87 ALDH1A1 (0.50) ALDH1A1KMT2AMITFSMN1; SMN2MEN1
SCHEMBL11339668 0.86 KMT2A (0.40) ALDH1A1KMT2AMITFSMN1; SMN2MEN1
SCHEMBL11341461 0.86 KMT2A (0.40) ALDH1A1KMT2AMITFSMN1; SMN2MEN1
SCHEMBL11331146 0.86 MEN1 (0.42) ALDH1A1KMT2AMITFSMN1; SMN2MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4156014-A N-(2-aminocycloheptyl)alkanoylanilides and in the treatment of depression THE UPJOHN COMPANY (US) 1979-05-22 — — US claimed
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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