SCHEMBL9587982

SCHEMBL9587982

[CH2][C@@H](Cc1ccccc1)NC(=O)N1CCN(CC=Cc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 7/20 0.60
▸ USP2 O75604 2/20 0.60
▸ MEN1 O00255 2/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ ALDH1A1 P00352 5/20 0.56
▸ GAA P10253 3/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ HTT P42858 1/20 0.56
▸ MAPT P10636 3/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ MAPK1 P28482 2/20 0.54
▸ CHRM3 P20309 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ ALOX15 P16050 1/20 0.51
▸ TSHR P16473 1/20 0.51

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
SCHEMBL9587661 0.86 NPC1 (0.54) ALDH1A1GAAHTTMAPTKDM4E
SCHEMBL7306504 0.84 LMNA (0.58) LMNAUSP2MEN1KMT2AALDH1A1
SCHEMBL10869289 0.82 MAPK1 (0.73) LMNAUSP2MEN1KMT2AALDH1A1
SCHEMBL9587878 0.82 CYP3A4 (0.66) LMNAUSP2KMT2AALDH1A1SMN1; SMN2
SCHEMBL9587576 0.81 MEN1 (0.57) MEN1KMT2AGAAHTTCHRM3
SCHEMBL9587002 0.81 KDM4E (0.61) MEN1KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL9598169 0.80 HTT (0.64) MEN1KMT2AALDH1A1GAAHTT
SCHEMBL9587928 0.79 CYP3A4 (0.53) MEN1KMT2AGAAHTTKDM4E
SCHEMBL9588899 0.78 HSD17B10 (0.58) GAAKDM4E
SCHEMBL9589632 0.78 HSD17B10 (0.58) GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5190974-A Analgesics ROUSSEL UCLAF (FR) 1993-03-02 — — US disclosed
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