Urea

Urea

SCHEMBL4201729

CS(=O)(=O)NC(=O)C1CCNCC1.NC(N)=O

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
GABRA1 P14867 2/20 0.41
TSHR P16473 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRA6 Q16445 2/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
PMP22 Q01453 1/20 0.41
GABRG1 Q8N1C3 1/20 0.41
GABRG3 Q99928 1/20 0.41
GABRQ Q9UN88 1/20 0.41
GNAI3 P08754 1/20 0.41

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
SCHEMBL3223892 0.94 POLB (0.47) POLBGABRA1TSHRGABRG2GABRB3
SCHEMBL21235945 0.84 TSHR (0.38) POLBGABRA1TSHRGABRG2GABRB3
SCHEMBL15082266 0.84 TSHR (0.38) POLBGABRA1TSHRGABRG2GABRB3
Trifluoroacetic Acid SCHEMBL28974434 0.83 GABRA1 (0.40) POLBGABRA1TSHRGABRG2GABRB3
SCHEMBL4110765 0.80 POLB (0.36) POLBTSHRKMT2AALDH1A1SMN1; SMN2
SCHEMBL29368888 0.79 SMN1; SMN2 (0.37) POLBTSHRCYP2D6KMT2AALDH1A1
SCHEMBL7695741 0.77 HDAC8 (0.48) TSHRALDH1A1SMN1; SMN2LMNAEPHX1
SCHEMBL15931748 0.77 HDAC8 (0.43) TSHRALDH1A1SMN1; SMN2LMNAEPHX1
SCHEMBL17294409 0.75 CHRNB2 (0.39) NOS2
SCHEMBL19060 0.75 HDAC8 (0.52) TSHRALDH1A1SMN1; SMN2EPHX1MAPT

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