SCHEMBL17366270

SCHEMBL17366270

CCC(C)Oc1ccc(I)cc1C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.39
XDH P47989 1/20 0.36
SLC2A1 P11166 1/20 0.35
TSHR P16473 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
PPARA Q07869 1/20 0.33
P2RX3 P56373 4/20 0.33
GAK O14976 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33

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
SCHEMBL13584342 0.84 MCHR1 (0.38) MCHR1
SCHEMBL10188117 0.81 SMN1; SMN2 (0.41) MCHR1SLC2A1P2RX3SMN1; SMN2
SCHEMBL6112972 0.81 TSHR (0.39) MCHR1TSHRHTR2AHTR2CHTR2B
SCHEMBL17366256 0.79 MCHR1 (0.45) MCHR1SLC2A1TSHRHTR2AHTR2C
SCHEMBL12817393 0.79 TSHR (0.57) SLC2A1TSHRHTR2AHTR2CHTR2B
SCHEMBL9856093 0.79 S1PR1 (0.45) MCHR1SLC2A1TSHRHTR2AHTR2C
SCHEMBL13925425 0.79 HTT (0.43) MCHR1ALDH1A1SMN1; SMN2
SCHEMBL2794945 0.76 ALDH1A1 (0.38) TSHRHTR2AHTR2CHTR2BALDH1A1
SCHEMBL29957805 0.75 PPARA (0.36) MCHR1SLC2A1TSHRHTR2AHTR2C
SCHEMBL24592701 0.73 RORC (0.41) MCHR1SMN1; SMN2

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
EP-2588451-B1 PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INT (DE) 2015-12-30 EP disclosed