SCHEMBL5529489

SCHEMBL5529489

CCCNC(=O)c1cccc(Cl)c1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.62
TAS1R3 Q7RTX0 1/20 0.60
TAS1R1 Q7RTX1 1/20 0.60
TAS1R2 Q8TE23 1/20 0.60
TMEM97 Q5BJF2 2/20 0.59
SIGMAR1 Q99720 2/20 0.59
POLB P06746 1/20 0.58
THRB P10828 1/20 0.58
RECQL P46063 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
P2RX7 Q99572 5/20 0.56
F2R P25116 1/20 0.55
TSHR P16473 2/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 1/20 0.52
HSD17B10 Q99714 1/20 0.52
GPR139 Q6DWJ6 1/20 0.52
PKM P14618 1/20 0.51
NPC1 O15118 1/20 0.50

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
SCHEMBL10792384 0.86 HPGD (0.81) HPGDSIGMAR1POLBTHRBRECQL
SCHEMBL4158170 0.86 TAS1R3 (0.64) HPGDTAS1R3TAS1R1TAS1R2TMEM97
SCHEMBL6292861 0.85 P2RX7 (0.57) HPGDTAS1R3TAS1R1TAS1R2TMEM97
SCHEMBL6292862 0.85 TMEM97 (0.58) HPGDTAS1R3TAS1R1TAS1R2TMEM97
SCHEMBL2569892 0.83 TMEM97 (0.56) HPGDTAS1R3TAS1R1TAS1R2TMEM97
SCHEMBL4012709 0.82 P2RX7 (0.51) HPGDTAS1R3TAS1R1TAS1R2TMEM97
SCHEMBL9491955 0.81 TAS1R3 (0.57) HPGDTAS1R3TAS1R1TAS1R2TMEM97
SCHEMBL10289215 0.81 ALDH1A1 (0.57) HPGDPOLBTHRBRECQLTDP1
SCHEMBL6947954 0.81 TMEM97 (0.53) HPGDTAS1R3TAS1R1TAS1R2TMEM97
SCHEMBL2229856 0.80 TAS1R3 (0.56) HPGDTAS1R3TAS1R1TAS1R2TMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 US disclosed
EP-1824851-A2 NOVEL DIAZABICYCLONONENE DERIVATIVE Actelion Pharmaceuticals Ltd. (CH) 2007-08-29 EP disclosed
WO-2006092268-A1 BICYCLIC FIVE-MEMBERED HETEROARYL DERIVATIVES AND THEIR USE AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2006-09-08 WO disclosed
WO-2006063610-A1 HETEROARYL SUBSTITUTED DIAZABICYCLONONENE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2006-06-22 WO disclosed
WO-2006061791-A2 NOVEL DIAZABICYCLONONENE DERIVATIVE ACTELION PHARMACEUTICALS LTD (CH) 2006-06-15 WO disclosed
WO-2006021399-A2 AZABICYCLONONENE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2006-03-02 WO disclosed
WO-2006021401-A2 BICYLONONENE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2006-03-02 WO disclosed