SCHEMBL10401433

SCHEMBL10401433

CCOC(=O)c1ccc(N2CCN(C(=O)NCCN(C)C)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
MAPT P10636 3/20 0.51
MAPK1 P28482 3/20 0.51
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 2/20 0.48
KDM4E B2RXH2 2/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 2/20 0.47
HSD17B10 Q99714 1/20 0.47
TSHR P16473 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
P2RY12 Q9H244 2/20 0.46
CETP P11597 1/20 0.44
HPGD P15428 1/20 0.44

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
Hydrochloric Acid SCHEMBL10405355 0.99 ALDH1A1 (0.50) ALDH1A1MAPTMAPK1RAB9ASMN1; SMN2
SCHEMBL10401568 0.84 ALDH1A1 (0.67) ALDH1A1MAPTMAPK1SMN1; SMN2KDM4E
SCHEMBL10401922 0.84 MAPT (0.51) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL10401393 0.83 ALDH1A1 (0.54) ALDH1A1MAPTMAPK1SMN1; SMN2NPC1
SCHEMBL10401407 0.83 ALDH1A1 (0.54) ALDH1A1MAPTMAPK1SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL10401866 0.83 ALDH1A1 (0.66) ALDH1A1MAPTMAPK1SMN1; SMN2KDM4E
SCHEMBL6134787 0.83 ALDH1A1 (0.56) ALDH1A1MAPTMAPK1RAB9ASMN1; SMN2
SCHEMBL10401408 0.82 ALDH1A1 (0.53) ALDH1A1MAPTMAPK1SMN1; SMN2NPC1
SCHEMBL10401976 0.81 L3MBTL1 (0.59) ALDH1A1MAPTMAPK1SMN1; SMN2NPC1
SCHEMBL10401434 0.81 ALDH1A1 (0.50) ALDH1A1MAPTMAPK1RAB9ASMN1; SMN2

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-4960776-A ANTIALLERGENS A. H. ROBINS COMPANY, INC. (US) 1990-10-02 US claimed
EP-0277725-A2 4-Aryl-N-[2-(dialkylamino and heterocyclicamino) alkyl]-1-piperazinecarboxamides and their use as anti allergy agents A.H. ROBINS COMPANY, INCORPORATED (US) 1988-08-10 EP claimed
US-4960776-A ANTIALLERGENS A. H. ROBINS COMPANY, INC. (US) 1990-10-02 US disclosed