SCHEMBL1746375

SCHEMBL1746375

C[N]c1cccnc1NCCC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.46
CYP1A2 P05177 2/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
ALOX12 P18054 1/20 0.38
CYP2C8 P10632 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2B6 P20813 1/20 0.37
CYP2C19 P33261 1/20 0.37
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 1/20 0.35
ADORA3 P0DMS8 2/20 0.35
PSMB5 P28074 3/20 0.34
PPIA P62937 1/20 0.34
PSMB1 P20618 1/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL1744463 0.82 ALDH1A1 (0.53) UTS2RKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1744803 0.81 KDM4E (0.41) CYP1A2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1746872 0.81 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL1746367 0.78 GRM5 (0.41) UTS2RCYP1A2KDM4EALDH1A1CYP2C9
SCHEMBL1746870 0.78 CYP2C19 (0.51) CYP2C19HSD17B10KMT2AGAA
SCHEMBL1745114 0.78 UTS2R (0.46) UTS2RCYP1A2KDM4EALDH1A1CYP2C19
SCHEMBL9977933 0.78 UTS2R (0.48) UTS2RCYP1A2KDM4EALDH1A1ALOX12
SCHEMBL1746376 0.76 UTS2R (0.47) UTS2RCYP1A2KDM4EALDH1A1ALOX12
SCHEMBL514531 0.75 UTS2R (0.46) UTS2RCYP1A2KDM4EALDH1A1ALOX12
SCHEMBL514532 0.75 UTS2R (0.46) UTS2RCYP1A2KDM4EALDH1A1ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385042-B1 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2015-11-25 EP disclosed
EP-1973886-B1 PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2013-02-27 EP disclosed
EP-2385042-A1 Prokineticin 1 receptor antagonists Janssen Pharmaceutica N.V. (BE) 2011-11-09 EP disclosed
US-8039028-B2 Use of an extract of the orchid Vanda coerulea as a skin hydrating agent LVMH REACHERCHE (FR) 2011-10-18 US disclosed