SCHEMBL7775137

SCHEMBL7775137

O=C(NC(CCCc1ccccc1)CCCc1ccccc1)[C@@H]1CCCN1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSC P53634 4/20 0.59
HTR2C P28335 2/20 0.48
HTR2B P41595 2/20 0.48
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
DPP7 Q9UHL4 1/20 0.45
GHSR Q92847 3/20 0.44
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 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
SCHEMBL1980413 0.96 CTSC (0.55) CTSCHTR2CHTR2BCYP3A4CYP2D6
SCHEMBL30051143 0.82 CTSC (0.59) CTSCHTR2CHTR2BCYP3A4CYP2D6
SCHEMBL1980119 0.82 DPP4 (0.45) CTSCKDM4E
SCHEMBL1978322 0.81 FKBP1A (0.47)
SCHEMBL10709444 0.81 MEN1 (0.60) CTSCHTR2CHTR2BEPHX1
SCHEMBL10706722 0.81 MEN1 (0.60) CTSCHTR2CHTR2BEPHX1
SCHEMBL1981342 0.81 GHSR (0.47) CTSCCYP2C19GHSRTSHREPHX1
SCHEMBL1978336 0.80 ITGB3 (0.47) CYP3A4CYP2D6TSHRKDM4E
SCHEMBL9283152 0.80 CTSC (0.65) CTSCHTR2CHTR2BCYP3A4CYP2D6
SCHEMBL1980094 0.80 GHSR (0.45) CYP2C19GHSRTSHR

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
EP-1117372-A2 METHOD OF TREATING HAIR LOSS USING SULFONAMIDES THE PROCTER & GAMBLE COMPANY (US) 2001-07-25 EP disclosed
WO-2000018361-A2 METHOD OF TREATING HAIR LOSS USING SULFONAMIDES THE PROCTER & GAMBLE COMPANY (US) 2000-04-06 WO disclosed