SCHEMBL6692817

SCHEMBL6692817

c1ccc(C2c3ccccc3CC3CNCCN32)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.45
HTR2B P41595 8/20 0.45
HTR2A P28223 7/20 0.45
PRCP P42785 3/20 0.43
TAAR1 Q96RJ0 2/20 0.42
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
KMT2A Q03164 1/20 0.39
GRIN2B Q13224 1/20 0.38

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
SCHEMBL11637285 0.87 HTR2C (0.50) HTR2CHTR2BHTR2APRCPKMT2A
SCHEMBL3872517 0.80 TRPV1 (0.49) HTR2CHTR2BHTR2AMEN1CYP3A4
SCHEMBL11638324 0.80 PRCP (0.40) HTR2CHTR2BHTR2APRCPMEN1
Hydrochloric Acid SCHEMBL3874607 0.79 TRPV1 (0.48) HTR2CHTR2BHTR2AMEN1CYP3A4
Hydrochloric Acid SCHEMBL3883795 0.79 TRPV1 (0.48) HTR2CHTR2BHTR2AMEN1CYP3A4
SCHEMBL10668338 0.75 TAAR1 (0.52) HTR2CHTR2BHTR2APRCPTAAR1
SCHEMBL11642135 0.74 PRCP (0.50) HTR2CHTR2BHTR2APRCPCYP2D6
Hydrochloric Acid SCHEMBL3875713 0.72 TRPV1 (0.35) HTR2CHTR2BHTR2AMEN1KMT2A
Hydrochloric Acid SCHEMBL3882718 0.72 TRPV1 (0.35) HTR2CHTR2BHTR2A
SCHEMBL11641902 0.70 PRCP (0.49) PRCPGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004256527-A PDE4 INHIBITOR TANABE SEIYAKU CO LTD 2004-09-16 JP disclosed