SCHEMBL10401922

SCHEMBL10401922

Cc1ccc(N2CCN(C(=O)NCCN(C)C)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
ALDH1A1 P00352 4/20 0.51
AKR1C3 P42330 1/20 0.49
DRD2 P14416 2/20 0.48
DRD3 P35462 2/20 0.48
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALOX15 P16050 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
ALOX12 P18054 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
POLB P06746 3/20 0.46
TP53 P04637 2/20 0.46
NAMPT P43490 1/20 0.46
HPGD P15428 2/20 0.45
HTT P42858 2/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL10401523 0.88 ALDH1A1 (0.50) MAPTALDH1A1AKR1C3DRD2DRD3
SCHEMBL10401434 0.88 ALDH1A1 (0.50) MAPTALDH1A1DRD2DRD3LMNA
SCHEMBL10401849 0.88 CHRM4 (0.54) MAPTALDH1A1AKR1C3DRD2LMNA
SCHEMBL3043309 0.88 GFER (0.55) MAPTALDH1A1DRD2DRD3LMNA
SCHEMBL10401582 0.88 TP53 (0.60) MAPTALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL10401826 0.88 DRD2 (0.62) MAPTALDH1A1DRD2DRD3LMNA
Hydrochloric Acid SCHEMBL10401376 0.87 GFER (0.54) MAPTALDH1A1DRD2DRD3LMNA
Hydrochloric Acid SCHEMBL10401824 0.87 ALDH1A1 (0.49) MAPTALDH1A1DRD2DRD3LMNA
SCHEMBL10401568 0.87 ALDH1A1 (0.67) MAPTALDH1A1LMNASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL10401866 0.86 ALDH1A1 (0.66) MAPTALDH1A1LMNASMN1; SMN2KDM4E

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