SCHEMBL6841772

SCHEMBL6841772

NCc1cc2ccccc2[c]n1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.35
LOXL2 Q9Y4K0 6/20 0.33
AGXT P21549 2/20 0.33
ASIC3 Q9UHC3 2/20 0.32
CYP2A6 P11509 1/20 0.32
UBE2T Q9NPD8 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
STAT6 P42226 1/20 0.31
NOTUM Q6P988 2/20 0.30
MAOA P21397 1/20 0.30

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
SCHEMBL6465708 0.81 CYP1A2 (0.35) CYP2A6CYP1A2CYP2D6
SCHEMBL2139890 0.78 CALM1 (0.38)
SCHEMBL6470193 0.78 KDM4E (0.40) CYP1A2CYP2D6
SCHEMBL6847418 0.77 ABAT (0.36) HTR2ACYP1A2
SCHEMBL4457753 0.77 PDE4A (0.32)
SCHEMBL9310605 0.75 ABCB11 (0.44) CYP1A2CYP2D6
SCHEMBL9870201 0.74 ALDH1A1 (0.35) CYP2A6
SCHEMBL1879034 0.74 PDPK1 (0.43) ASIC3CYP1A2CYP3A4
SCHEMBL558134 0.69 CYP1A2 (0.43) CYP2A6CYP1A2
SCHEMBL9479758 0.69 MIF (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6768024-B1 CONTROLLING OBESITY, SEXUAL DYSFUNCTION OR INFLAMMATION LION BIOSCIENCE AG (DE) 2004-07-27 US claimed
WO-2002012166-A2 TRIAMINE DERIVATIVE MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME LION BIOSCIENCE AG (DE) 2002-02-14 WO claimed
US-6768024-B1 CONTROLLING OBESITY, SEXUAL DYSFUNCTION OR INFLAMMATION LION BIOSCIENCE AG (DE) 2004-07-27 US disclosed
WO-2002012166-A2 TRIAMINE DERIVATIVE MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME LION BIOSCIENCE AG (DE) 2002-02-14 WO disclosed