SCHEMBL6573626

SCHEMBL6573626

COCCN(CCOC)c1ccc(N)c(-c2ccccc2C(=O)N(C(C)C)C(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
OPRK1 P41145 2/20 0.34
UTS2R Q9UKP6 2/20 0.34
OXTR P30559 1/20 0.33
AVPR1A P37288 1/20 0.33
TSHR P16473 2/20 0.32
P2RX4 Q99571 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAP4K4 O95819 1/20 0.32
PIK3CD O00329 1/20 0.32
HTR2C P28335 1/20 0.31
RORC P51449 1/20 0.31

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
SCHEMBL6570829 0.88 NPSR1 (0.39) NPSR1TSHRP2RX4MEN1KMT2A
SCHEMBL6573765 0.85 MAPK1 (0.49) F2PRSS1PRSS2PRSS3MAPK1
SCHEMBL6573305 0.80 MEN1 (0.37) NPSR1MAPK1CYP3A4TSHRP2RX4
SCHEMBL6571124 0.78 F2 (0.36) F2PRSS1PRSS2PRSS3OXTR
SCHEMBL6573203 0.76 ALDH1A1 (0.34) F2PRSS1PRSS2PRSS3MEN1
SCHEMBL6572502 0.76 S100B (0.40) F2PRSS1PRSS2PRSS3OXTR
SCHEMBL6574642 0.76 LTB4R2 (0.43) F2PRSS1PRSS2PRSS3MAPK1
SCHEMBL6572540 0.76 S100B (0.34) F2PRSS1PRSS2PRSS3CYP3A4
SCHEMBL6570863 0.75 CRHR1 (0.39) F2PRSS1PRSS2PRSS3MAPK1
SCHEMBL6571532 0.75 HTR7 (0.44) NPSR1MAPK1CYP3A4MEN1KMT2A

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 6 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
EP-1392637-A2 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ELI LILLY AND COMPANY (US) 2004-03-03 EP disclosed
WO-2002100813-A2 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ELI LILLY AND COMPANY (US) 2002-12-19 WO 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