SCHEMBL7084522

SCHEMBL7084522

CCOc1ccc2c(c1)C=CC1(CCNCC1)N2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.40
KMT2A Q03164 5/20 0.39
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 4/20 0.39
ALOX12 P18054 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
MAPT P10636 4/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34

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
Hydrochloric Acid SCHEMBL7659918 0.99 HTR2C (0.39) HTR2CKMT2AALDH1A1MEN1ALOX12
SCHEMBL6984818 0.88 ALDH1A1 (0.40) KMT2AALDH1A1MEN1ALOX12TDP1
SCHEMBL29373570 0.88 ALDH1A1 (0.40) KMT2AALDH1A1MEN1ALOX12TDP1
Hydrochloric Acid SCHEMBL7654967 0.87 ALDH1A1 (0.39) KMT2AALDH1A1MEN1ALOX12TDP1
SCHEMBL7085314 0.77 ALDH1A1 (0.55) KMT2AALDH1A1MEN1ALOX12TDP1
Hydrochloric Acid SCHEMBL7658370 0.68 SLC6A2 (0.37)
SCHEMBL5909166 0.67 NQO1 (0.41) KMT2AALDH1A1MEN1ALOX12TDP1
SCHEMBL7083506 0.65 ELANE (0.39) KMT2AMEN1
SCHEMBL8397950 0.63 DRD2 (0.44) KDM4ECYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11523502 0.62 DRD2 (0.54) KMT2AALDH1A1MEN1TDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0995743-B1 Derivatives of dihydro- and tetrahydrochinoline as a medicinal antioxydans SERVIER LAB (FR) 2003-04-02 EP disclosed
US-6350759-B1 ANTIOXIDATIVE AGENTS FOR OXIDATION STRESS, ESPECIALLY AT THE CEREBRAL LEVEL; ADIR ET COMPAGNIE (FR) 2002-02-26 US disclosed
EP-0995743-A1 Derivatives of dihydro- and tetrahydrochinoline as a medicinal antioxydans ADIR ET COMPAGNIE (FR) 2000-04-26 EP disclosed