SCHEMBL9736504

SCHEMBL9736504

CNCC(O)COC(Cc1cnn(C)c1)C(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.40
HAT1 O14929 2/20 0.37
EP300 Q09472 2/20 0.37
ADRB1 P08588 6/20 0.36
ADRB2 P07550 5/20 0.36
ADRB3 P13945 3/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 0.35
PRMT5 O14744 2/20 0.35
CARM1 Q86X55 1/20 0.35
CTSV O60911 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
ALOX15 P16050 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
SCHEMBL9735739 0.87 OPRM1 (0.37) OPRM1HAT1EP300JAK2JAK1
SCHEMBL9737525 0.86 KDM4E (0.38) OPRM1HAT1EP300ADRB1ADRB2
SCHEMBL9735615 0.86 LMNA (0.44) ADRB1ADRB2ADRB3PRMT5MEN1
SCHEMBL9742031 0.84 OPRM1 (0.41) OPRM1HAT1EP300ADRB1ADRB2
Hydrochloric Acid SCHEMBL10829694 0.83 ADRB1 (0.45) ADRB1ADRB2ADRB3CA12CA1
SCHEMBL9736627 0.83 MEN1 (0.43) L3MBTL1MEN1KMT2A
SCHEMBL9737262 0.81 ABCB1 (0.49) ADRB1ADRB2ADRB3KMT2A
SCHEMBL9736392 0.81 ADRB2 (0.60) ADRB1ADRB2ADRB3MEN1KMT2A
SCHEMBL9735892 0.78 ABCB1 (0.51) MEN1KMT2A
SCHEMBL9735929 0.76 OPRM1 (0.44) OPRM1HAT1EP300JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5118685-A Antiarrhythmia agents BASF AKTIENGESELLSCHAFT (DE) 1992-06-02 US disclosed