SCHEMBL10401976

SCHEMBL10401976

COc1ccc(N2CCN(C(=O)NCCN(C)C)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.59
GFER P55789 4/20 0.58
NPC1 O15118 1/20 0.58
MAPT P10636 5/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 2/20 0.53
TP53 P04637 2/20 0.53
ALDH1A1 P00352 2/20 0.53
GAA P10253 1/20 0.53
AKR1C3 P42330 1/20 0.52
MAPK1 P28482 2/20 0.52
KMT2A Q03164 2/20 0.52
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
PTPN7 P35236 1/20 0.51
POLB P06746 1/20 0.50

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
SCHEMBL10401429 0.87 KMT2A (0.56) GFERMAPTLMNAALDH1A1GAA
SCHEMBL10401922 0.86 MAPT (0.51) L3MBTL1GFERNPC1MAPTSMN1; SMN2
SCHEMBL3043309 0.85 GFER (0.55) L3MBTL1GFERNPC1MAPTSMN1; SMN2
SCHEMBL10401849 0.85 CHRM4 (0.54) MAPTSMN1; SMN2LMNAALDH1A1AKR1C3
SCHEMBL10401582 0.85 TP53 (0.60) GFERMAPTSMN1; SMN2LMNATP53
SCHEMBL10401523 0.85 ALDH1A1 (0.50) GFERNPC1MAPTSMN1; SMN2LMNA
SCHEMBL10401434 0.85 ALDH1A1 (0.50) L3MBTL1GFERNPC1MAPTSMN1; SMN2
SCHEMBL10401512 0.84 GFER (0.58) L3MBTL1GFERNPC1MAPTSMN1; SMN2
SCHEMBL10401826 0.84 DRD2 (0.62) MAPTSMN1; SMN2LMNATP53ALDH1A1
SCHEMBL10401568 0.84 ALDH1A1 (0.67) MAPTSMN1; SMN2LMNATP53ALDH1A1

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 4 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
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 disclosed