SCHEMBL17366258

SCHEMBL17366258

Cc1cc(I)ccc1OCC1CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.43
HPGD P15428 1/20 0.42
RIPK1 Q13546 1/20 0.41
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
PDE4B Q07343 4/20 0.39
MAP2K1 Q02750 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTR2A P28223 3/20 0.38
HTR2C P28335 3/20 0.38
BRD4 O60885 2/20 0.38
HTR2B P41595 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 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
SCHEMBL17366255 0.82 DRD4 (0.46) SSTR4HPGDHTR2AHTR2BALDH1A1
SCHEMBL19962876 0.79 ALDH1A1 (0.47) SSTR4HPGDMEN1KMT2ATDP1
SCHEMBL20384325 0.79 HTR2C (0.38) RIPK1PDE4BHTR2AHTR2CHTR2B
SCHEMBL4013290 0.79 HTR2C (0.52) HPGDMEN1KMT2AHTR2CHTR2B
SCHEMBL2561303 0.79 NOS3 (0.44) HPGDRIPK1NOS3NOS1NOS2
SCHEMBL24334343 0.78 KDM4E (0.54) HPGDRIPK1NOS3NOS1NOS2
SCHEMBL22693816 0.78 PDE4B (0.43) HPGDRIPK1NOS3NOS1NOS2
SCHEMBL16852267 0.77 PDE4B (0.43) HPGDRIPK1PDE4BBRD4ALDH1A1
SCHEMBL12952643 0.76 HPGD (0.52) SSTR4HPGDALDH1A1
SCHEMBL20376109 0.76 FFAR4 (0.43) RIPK1HTR2CHTR2B

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