SCHEMBL27463567

SCHEMBL27463567

CCOC(=O)CCCN1CCN(C(=O)Nc2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.68
FAAH O00519 7/20 0.64
ABL1 P00519 1/20 0.58
POLB P06746 1/20 0.58
RIN1 Q13671 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
MAPK1 P28482 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 1/20 0.54
HTT P42858 1/20 0.54

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
SCHEMBL10826240 0.86 MAPT (0.73) MAPTFAAHABL1POLBRIN1
SCHEMBL27542336 0.82 MAPK1 (0.55) MAPTABL1POLBRIN1TDP1
SCHEMBL27442353 0.82 MAPT (1.00) MAPTFAAHABL1POLBRIN1
SCHEMBL6604229 0.80 CACNA1G (0.54) TDP1MAPK1KDM4EALDH1A1
SCHEMBL8160104 0.80 HTR1A (0.58) MAPT
SCHEMBL9634840 0.80 SIGMAR1 (0.61) MAPTNPSR1KDM4E
SCHEMBL7842690 0.79 OPRM1 (0.45) MAPTFAAH
SCHEMBL14595398 0.79 FAAH (0.70) MAPTFAAHNPSR1KDM4EALDH1A1
SCHEMBL14520829 0.78 ALDH1A1 (0.59) MAPTTDP1KDM4EALDH1A1
SCHEMBL11861074 0.78 CYP1A2 (0.53) POLBTDP1MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1136191-C Carboxy substituted carboxamide derivatives as tachykinin receptor antagonists ������ҩ�����޹�˾ 2004-01-28 CN disclosed
CN-1301253-A Carboxy substituted carboxamide derivatives as tachykinin receptor antagonists AVENTIS PHARMACEUTICAL INC (US) 2001-06-27 CN disclosed