SCHEMBL12184342

SCHEMBL12184342

O=C(Nc1ccc(CN2CC3(CCN(Cc4ccc(C(F)(F)F)cc4)CC3)OC2=O)cc1)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 2/20 0.47
PRKAG1 P54619 2/20 0.47
PRKAA2 P54646 2/20 0.47
PRKAA1 Q13131 2/20 0.47
PRKAG3 Q9UGI9 2/20 0.47
PRKAG2 Q9UGJ0 2/20 0.47
PRKAB1 Q9Y478 2/20 0.47
HIF1A Q16665 4/20 0.46
EPAS1 Q99814 4/20 0.46
DNMT1 P26358 1/20 0.45
EHMT2 Q96KQ7 1/20 0.45
KCNH2 Q12809 1/20 0.45
GPR119 Q8TDV5 1/20 0.45
CTNNB1 P35222 4/20 0.44
TCF7L2 Q9NQB0 4/20 0.44
ENPP3 O14638 3/20 0.44
ENPP2 Q13822 2/20 0.44
ENPP1 P22413 2/20 0.44
ACKR3 P25106 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL12184344 0.88 EPHX2 (0.47)
SCHEMBL12184883 0.87 BCHE (0.44) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL12184390 0.87 PRKAB2 (0.50) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL12184446 0.83 KMT2A (0.55) HIF1AEPAS1ACKR3SSTR5
SCHEMBL12184320 0.83 KMT2A (0.55) HIF1AEPAS1ACKR3SSTR5
SCHEMBL12185115 0.82 ACKR3 (0.51) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL12185153 0.82 ADRB2 (0.49) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL12184582 0.82 HIF1A (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL12184424 0.82 ACKR3 (0.48) ACKR3SSTR5
SCHEMBL12184881 0.82 DCUN1D1 (0.58) HIF1AEPAS1

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
WO-2011142359-A1 SPIRO COMPOUND AND DRUG FOR ACTIVATING ADIPONECTIN RECEPTOR 日産化学工業株式会社 (JP) 2011-11-17 WO disclosed