SCHEMBL8209440

SCHEMBL8209440

CCCCCCCCCCCCCCCCCCNC(=O)OCc1ccccc1C(=O)NCCCN1CCN(C)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.47
KMT2A Q03164 1/20 0.46
OPRL1 P41146 2/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
MAPT P10636 2/20 0.45
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
DRD2 P14416 2/20 0.43
DRD3 P35462 1/20 0.43
HPGD P15428 1/20 0.43
OPRK1 P41145 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL7638428 0.90 POLB (0.55) KMT2AMAPTTSHRHPGDALDH1A1
Hydrochloric Acid SCHEMBL7641302 0.89 POLB (0.54) KMT2AMAPTTSHRHPGDALDH1A1
SCHEMBL7634529 0.85 KEAP1 (0.48) NAAAKMT2AKEAP1NFE2L2MAPT
SCHEMBL7633791 0.85 NAAA (0.50) NAAATSHRHTTDRD2HPGD
Hydrochloric Acid SCHEMBL7638047 0.84 KEAP1 (0.47) NAAAKMT2AKEAP1NFE2L2MAPT
Hydrochloric Acid SCHEMBL7641092 0.84 NAAA (0.49) NAAATSHRHTTDRD2HPGD
SCHEMBL7638117 0.82 NAAA (0.54) NAAATSHRHTTHPGDALDH1A1
SCHEMBL7632670 0.81 NAAA (0.46) NAAATSHRHTTDRD2DRD3
Hydrochloric Acid SCHEMBL7641314 0.81 NAAA (0.53) NAAATSHRHTTHPGDALDH1A1
Hydrochloric Acid SCHEMBL7632701 0.80 NAAA (0.46) NAAATSHRHTTDRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6114325-A 1,2-di-substituted benzene-carboxamide derivative, hair growth promoter and external composition for skin using the same SHISEIDO CO., LTD. (JP) 2000-09-05 US disclosed