SCHEMBL8837504

SCHEMBL8837504

O=C(NCCc1ccccc1)NC(CS)Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 3/20 0.60
MME P08473 2/20 0.60
KMT2A Q03164 3/20 0.59
MEN1 O00255 1/20 0.58
TSHR P16473 1/20 0.58
OPRM1 P35372 1/20 0.54
EPHX1 P07099 1/20 0.54
ANPEP P15144 1/20 0.51

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
SCHEMBL9588091 0.87 MME (0.62) CTRB1MME
SCHEMBL8837483 0.86 CTRB1 (0.73) CTRB1MME
SCHEMBL7299958 0.84 MME (0.66) CTRB1MMEKMT2AMEN1
SCHEMBL9587974 0.83 KMT2A (0.54) KMT2AMEN1TSHROPRM1EPHX1
SCHEMBL9588438 0.81 LMNA (0.60) CTRB1MMETSHR
SCHEMBL7304189 0.80 CTRB1 (0.65) CTRB1MME
SCHEMBL9587977 0.80 KMT2A (0.59) MMEKMT2AMEN1TSHROPRM1
SCHEMBL8837460 0.79 MME (0.73) CTRB1MME
SCHEMBL9852784 0.78 KMT2A (0.60) KMT2AMEN1TSHREPHX1ANPEP
SCHEMBL9587929 0.78 KMT2A (0.51) CTRB1MMEKMT2AMEN1

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