SCHEMBL11550473

SCHEMBL11550473

CC1CCCC(N(C(=O)CCCl)c2ccccc2)C(N)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MITF O75030 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ PAX8 Q06710 1/20 0.46
▸ CHRM2 P08172 2/20 0.37
▸ CHRM3 P20309 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ NCOA1 Q15788 1/20 0.37
▸ NCOA3 Q9Y6Q9 1/20 0.37
▸ PTGDR2 Q9Y5Y4 2/20 0.36
▸ OPRD1 P41143 5/20 0.36
▸ OPRM1 P35372 5/20 0.36
▸ OPRK1 P41145 3/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL11546721 0.89 ALDH1A1 (0.49) MITFALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11550133 0.89 ALDH1A1 (0.49) MITFALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11465499 0.88 MEN1 (0.41) MITFALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11341126 0.87 ALDH1A1 (0.45) MITFALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11341245 0.82 MEN1 (0.40) MITFALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11446684 0.81 ALDH1A1 (0.51) MITFALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11465272 0.81 KMT2A (0.43) MITFALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11454717 0.81 KMT2A (0.43) MITFALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11446546 0.80 ALDH1A1 (0.44) MITFALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11465500 0.79 KMT2A (0.37) MITFALDH1A1SMN1; SMN2MEN1KMT2A

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-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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