SCHEMBL5866449

SCHEMBL5866449

[CH2]C(CCN1CCC(N2CCCN(CC(=O)NCc3ccccc3)C2=O)CC1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 13/20 0.49
TACR1 P25103 13/20 0.49
TACR3 P29371 13/20 0.49
TSHR P16473 1/20 0.46
MCHR1 Q99705 4/20 0.44
HPGD P15428 1/20 0.42
CCR5 P51681 1/20 0.40

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
SCHEMBL5866414 0.87 TACR2 (0.61) TACR2TACR1TACR3MCHR1
SCHEMBL5866423 0.84 TACR2 (0.61) TACR2
SCHEMBL5866420 0.83 TACR2 (0.48) TACR2TACR1TACR3TSHRMCHR1
Citric Acid SCHEMBL7048901 0.79 TACR2 (0.56) TACR2
Citric Acid SCHEMBL5866413 0.79 TACR2 (0.56) TACR2
Citric Acid SCHEMBL5866407 0.78 TACR2 (0.43) TACR2TACR1TACR3TSHRMCHR1
SCHEMBL5866429 0.74 HPGD (0.51) TSHRHPGD
SCHEMBL5866432 0.71 CA1 (0.51) TSHRHPGD
Citric Acid SCHEMBL7044834 0.70 TACR2 (0.58) TACR2TACR1TACR3
SCHEMBL1387915 0.70 TACR2 (0.70) TACR2

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
US-7053213-B2 Therapeutic heterocycles ASTRAZENECA AB (SE) 2006-05-30 US claimed