SCHEMBL8837460

SCHEMBL8837460

O=C(O)NC(CS)Cc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.73
CTRB1 P17538 3/20 0.73
ECE1 P42892 2/20 0.58
CPA3 P15088 1/20 0.55
FOLH1 Q04609 1/20 0.55

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
SCHEMBL8837483 0.89 CTRB1 (0.73) MMECTRB1ECE1CPA3FOLH1
SCHEMBL8837489 0.86 CTRB1 (0.73) MMECTRB1ECE1CPA3FOLH1
SCHEMBL4325212 0.84 MME (1.00) MMECTRB1ECE1
SCHEMBL4325217 0.84 MME (1.00) MMECTRB1ECE1
SCHEMBL11493557 0.84 CTRB1 (1.00) MMECTRB1ECE1CPA3
SCHEMBL3959317 0.83 MAPK1 (0.68) MMECTRB1
SCHEMBL2973301 0.83 MAPK1 (0.68) MMECTRB1
SCHEMBL3897966 0.83 MAPK1 (0.68) MMECTRB1
SCHEMBL7304189 0.83 CTRB1 (0.65) MMECTRB1ECE1CPA3FOLH1
SCHEMBL7608499 0.83 CTRB1 (0.65) MMECTRB1ECE1CPA3FOLH1

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
US-5674864-A ANALGESICS; ENDOPEPTIDASE AND ENKEPHALINASE INHIBITORS; CARDIOTONIC, PSYCHOTROPIC AND HYPERTENSIVE AGENTS ROUSSEL UCLAF (FR) 1997-10-07 US disclosed
US-5190974-A Analgesics ROUSSEL UCLAF (FR) 1993-03-02 US disclosed