SCHEMBL11442497

SCHEMBL11442497

COC1CC(Cl)CC1N(C(=O)[C@H]1C[C@@H]1Cl)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MITF O75030 1/20 0.33
▸ PAX8 Q06710 1/20 0.33
▸ MAPT P10636 3/20 0.32
▸ HPGD P15428 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ TRPM8 Q7Z2W7 1/20 0.31
▸ OPRM1 P35372 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.31
▸ CHRM3 P20309 4/20 0.31
▸ CHRM4 P08173 2/20 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
SCHEMBL11437523 1.00 MEN1 (0.33) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL11442498 1.00 MEN1 (0.33) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL11446751 0.82 SMN1; SMN2 (0.38) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL11443828 0.81 SMN1; SMN2 (0.35) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL11450498 0.80 ALDH1A1 (0.39) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL11436718 0.80 ALDH1A1 (0.39) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL11506505 0.79 KMT2A (0.35) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL11506506 0.79 KMT2A (0.35) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL11507044 0.79 KMT2A (0.35) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL11450453 0.78 CHRM2 (0.37) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT

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

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