SCHEMBL10401429

SCHEMBL10401429

COc1cccc(N2CCN(C(=O)NCCN(C)C)CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
GAA P10253 2/20 0.56
MAPT P10636 2/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPK1 P28482 1/20 0.54
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA9 Q16790 2/20 0.53
MEN1 O00255 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
POLB P06746 1/20 0.53
HTR1A P08908 1/20 0.51
HTR1D P28221 1/20 0.51
HTR1B P28222 1/20 0.51
GFER P55789 1/20 0.50
DRD2 P14416 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
SCHEMBL10401976 0.87 L3MBTL1 (0.59) KMT2AGAAMAPTALDH1A1MAPK1
SCHEMBL10401770 0.86 CHRM4 (0.57) KMT2AMAPTALDH1A1CA12CA1
SCHEMBL10402030 0.85 MEN1 (0.49) KMT2AMAPTMEN1CYP2C9CYP2C19
SCHEMBL10401826 0.84 DRD2 (0.62) KMT2AGAAMAPTALDH1A1MAPK1
SCHEMBL10401512 0.84 GFER (0.58) KMT2AGAAMAPTALDH1A1MEN1
Hydrochloric Acid SCHEMBL10401899 0.84 MEN1 (0.48) KMT2AMAPTMEN1CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL10402024 0.83 GFER (0.57) KMT2AGAAMAPTALDH1A1MEN1
SCHEMBL10401382 0.82 DRD2 (0.65) KMT2AGAAMAPTALDH1A1MEN1
Hydrochloric Acid SCHEMBL10401379 0.81 DRD2 (0.64) KMT2AGAAMAPTALDH1A1MEN1
Maleic Acid SCHEMBL10401426 0.80 RAB9A (0.61) KMT2AMAPTALDH1A1MEN1LMNA

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