Urea

Urea

SCHEMBL4201733

CS(=O)(=O)NC1CCNCC1.NC(N)=O

nearest known ligand 0.45

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.45
POLB P06746 1/20 0.41
GABRA1 P14867 2/20 0.38
TSHR P16473 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRA6 Q16445 2/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
NFKB1 P19838 1/20 0.38
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36
CCR8 P51685 1/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRB1 P18505 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
SCHEMBL297676 0.90 EPHX1 (0.43) EPHX1POLBGABRA1TSHRGABRG2
Hydrochloric Acid SCHEMBL1702819 0.88 EPHX1 (0.41) EPHX1POLBGABRA1TSHRGABRG2
SCHEMBL31722231 0.82 EPHX1 (0.41) EPHX1POLBGABRA1TSHRGABRG2
Trifluoroacetic Acid SCHEMBL4355414 0.82 EPHX1 (0.40) EPHX1POLBGABRA1TSHRGABRG2
Hydrochloric Acid SCHEMBL26186808 0.81 EPHX1 (0.40) EPHX1POLBGABRA1TSHRGABRG2
Bromide SCHEMBL31722106 0.81 EPHX1 (0.40) EPHX1POLBGABRA1TSHRGABRG2
Hydrochloric Acid SCHEMBL31721921 0.81 EPHX1 (0.40) EPHX1POLBGABRA1TSHRGABRG2
Acetic Acid SCHEMBL6176650 0.78 KCNH2 (0.40) EPHX1POLBGABRA1TSHRGABRG2
SCHEMBL2411400 0.78 KCNH2 (0.47) EPHX1POLBGABRA1TSHRGABRG2
SCHEMBL2017404 0.78 KCNH2 (0.47) EPHX1POLBGABRA1TSHRGABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029539-A1 PIPERIDINYL, INDOLYL, PIRINIDYL, MORPHOLINYL AND BENZIMIDAZOLYL UREA DERIVATIVES AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE FOR THE TREATMENT OF HYPERTENSION, INFLAMMATIONS AND OTHER DISEASES The Regents of the University of California (US) 2009-03-04 EP disclosed
WO-2007106525-A1 PIPERIDINYL, INDOLYL, PIRINIDYL, MORPHOLINYL AND BENZIMIDAZOLYL UREA DERIVATIVES AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE FOR THE TREATMENT OF HYPERTENSION, INFLAMMATIONS AND OTHER DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-09-20 WO disclosed