SCHEMBL6571532

SCHEMBL6571532

COCCN(CCOC)c1ccc(N)c(-c2ccccc2OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 11/20 0.44
HTR1A P08908 6/20 0.38
HTR2B P41595 6/20 0.38
HTR5A P47898 5/20 0.38
HTR1D P28221 4/20 0.38
HTR1B P28222 4/20 0.38
HTR2A P28223 4/20 0.38
HTR1E P28566 3/20 0.38
HTR6 P50406 3/20 0.38
ALDH1A1 P00352 3/20 0.38
ADRA2B P18089 1/20 0.38
PTGS1 P23219 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD17B10 Q99714 1/20 0.37
HTR2C P28335 3/20 0.36
HTR3A P46098 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL6572267 0.86 HTR7 (0.41) HTR7HTR1AHTR2BHTR5AHTR1D
SCHEMBL6573326 0.86 ALDH1A1 (0.35) HTR7HTR1AALDH1A1ADRA2BPTGS1
SCHEMBL6572502 0.85 S100B (0.40) ALDH1A1TDP1HSD17B10LMNACYP1A2
SCHEMBL6573203 0.85 ALDH1A1 (0.34) ALDH1A1TDP1HSD17B10MEN1MAPT
SCHEMBL6570806 0.84 ALDH1A1 (0.42) ALDH1A1CYP3A4MEN1MAPTTHRB
SCHEMBL6570863 0.84 CRHR1 (0.39) HTR7HTR1AHTR2BHTR5AHTR1D
SCHEMBL6571124 0.84 F2 (0.36) ALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL6574104 0.83 LMNA (0.45) ALDH1A1LMNAMEN1POLBMAPT
SCHEMBL6572544 0.83 MGAM (0.40) ALDH1A1LMNAMEN1POLBMAPT
SCHEMBL6572443 0.82 AOC3 (0.36) ALDH1A1HSD17B10LMNAMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP claimed
EP-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP disclosed
US-6500213-B1 Oxidizing hair coloring agents containing 2,5-diamino-1-phenylbenzene derivatives and novel 2,5-diamino-1-phenylbenzene derivatives WELLA AKTIENGESELLSCHAFT (DE) 2002-12-31 US disclosed
EP-1051143-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES Wella Aktiengesellschaft (DE) 2000-11-15 EP disclosed
WO-1999059527-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 1999-11-25 WO disclosed