SCHEMBL11435697

SCHEMBL11435697

O=C(OC1CCCC1N(C(=O)CCCl)c1ccc(Cl)cc1)c1ccc(Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CHRM2 P08172 2/20 0.40
▸ CHRM3 P20309 2/20 0.40
▸ GLA P06280 1/20 0.38
▸ LMNA P02545 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ PTPRF P10586 1/20 0.35
▸ PTPN2 P17706 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ UPP1 Q16831 1/20 0.32
▸ POLB P06746 1/20 0.32

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
SCHEMBL11438337 0.88 ALDH1A1 (0.43) ALDH1A1KMT2ACHRM2CHRM3GLA
SCHEMBL11437571 0.83 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ACHRM2CHRM3
SCHEMBL11436721 0.80 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ACHRM2CHRM3
SCHEMBL11450497 0.79 MAPK1 (0.40) ALDH1A1MEN1KMT2ACHRM2CHRM3
SCHEMBL11339656 0.78 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ACHRM2CHRM3
SCHEMBL11435695 0.76 CHRM3 (0.39) ALDH1A1MEN1KMT2ACHRM2CHRM3
SCHEMBL11446841 0.75 SIGMAR1 (0.40) ALDH1A1MEN1KMT2ACHRM2CHRM3
SCHEMBL11434770 0.75 MEN1 (0.39) ALDH1A1MEN1KMT2ACHRM2CHRM3
SCHEMBL11442174 0.74 MEN1 (0.45) ALDH1A1MEN1KMT2ACHRM2CHRM3
SCHEMBL11454719 0.74 MEN1 (0.38) ALDH1A1MEN1KMT2ACHRM2CHRM3

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-4217362-A Anilide derivatives as antidepressants THE UPJOHN COMPANY (US) 1980-08-12 — — US disclosed
US-4212888-A Anilide derivatives as antidepressants THE UPJOHN COMPANY (US) 1980-07-15 — — US disclosed
US-4128663-A Anilide derivatives as antidepressants THE UPJOHN COMPANY (US) 1978-12-05 — — US disclosed
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