SCHEMBL10701944

SCHEMBL10701944

CC(C(=O)c1ccc(N)cc1)N1CCSCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ SLC6A3 Q01959 7/20 0.47
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ SLC6A2 P23975 6/20 0.41
▸ CHRNB4 P30926 6/20 0.41
▸ CHRNA3 P32297 6/20 0.41
▸ CHRNB2 P17787 5/20 0.41
▸ CHRNA4 P43681 5/20 0.41
▸ CHRNA1 P02708 4/20 0.41
▸ CHRNG P07510 4/20 0.41
▸ CHRNB1 P11230 4/20 0.41
▸ CHRND Q07001 4/20 0.41
▸ HPGD P15428 2/20 0.41

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
SCHEMBL9597385 0.85 SLC6A3 (0.61) SLC6A3ALDH1A1KDM4EGAASLC6A2
Hydrochloric Acid SCHEMBL9596538 0.84 SLC6A3 (0.60) SLC6A3ALDH1A1KDM4EGAASLC6A2
SCHEMBL9796926 0.84 SLC6A3 (0.60) SLC6A3ALDH1A1KDM4EGAASLC6A2
SCHEMBL9360364 0.84 SLC6A3 (0.60) SLC6A3ALDH1A1KDM4EGAASLC6A2
Hydrochloric Acid SCHEMBL9797234 0.83 SLC6A3 (0.58) SLC6A3ALDH1A1KDM4EGAASLC6A2
Hydrochloric Acid SCHEMBL9796810 0.83 SLC6A3 (0.58) SLC6A3ALDH1A1KDM4EGAASLC6A2
SCHEMBL9597221 0.83 SLC6A3 (0.48) MEN1KMT2ASLC6A3ALDH1A1KDM4E
SCHEMBL10469275 0.81 HRH3 (0.49) CYP2C19KMT2ASLC6A3ALDH1A1KDM4E
SCHEMBL10410656 0.81 SLC6A2 (0.52) MEN1CYP1A2CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL9596868 0.80 HRH3 (0.48) CYP2C19KMT2ASLC6A3ALDH1A1KDM4E

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
EP-0174242-B1 1-(AMINO-PHENYL)-2-AMINO PROPANON DERIVATIVES, THEIR USE IN THERAPY AND PROCESS FOR THEIR PREPARATION LABORATOIRE L. LAFON Société anonyme dite: (FR) 1988-01-13 — — EP claimed
EP-0174242-A2 1-(Amino-phenyl)-2-amino propanon derivatives, their use in therapy and process for their preparation LABORATOIRE L. LAFON Société anonyme dite: (FR) 1986-03-12 — — EP claimed
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