SCHEMBL11134305

SCHEMBL11134305

CCCC(=O)NOCC(O)COc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
MTNR1A P48039 3/20 0.48
MTNR1B P49286 3/20 0.48
CYP2D6 P10635 2/20 0.48
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48
ADRB3 P13945 1/20 0.48
POLB P06746 3/20 0.48
LMNA P02545 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PLA2G4B P0C869 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL6291619 0.78 MAPT (0.51) MAPTMTNR1AMTNR1BCYP2D6ADRB2
SCHEMBL17991053 0.78 MEN1 (0.50) MAPTCYP2D6ADRB2ADRB1ADRB3
SCHEMBL11571020 0.76 CYP2D6 (0.59) CYP2D6ADRB2ADRB1ADRB3
Butyric Acid SCHEMBL28199511 0.75 TSHR (0.51) MAPTCYP2D6ADRB2ADRB1ADRB3
SCHEMBL267463 0.74 LMNA (0.68) MAPTCYP2D6ADRB2ADRB1ADRB3
Methacrylic Acid SCHEMBL28914843 0.74 LMNA (0.57) MAPTMTNR1AMTNR1BCYP2D6ADRB2
SCHEMBL6351413 0.74 MAPT (0.57) MAPTMTNR1AMTNR1BCYP2D6ADRB2
SCHEMBL3857282 0.74 ALOX5 (0.51) MAPTMTNR1AMTNR1BPOLBL3MBTL1
SCHEMBL9661011 0.72 MAPT (0.78) MAPTCYP2D6ADRB2ADRB1ADRB3
SCHEMBL27927295 0.72 MAPT (0.51) MAPTMTNR1AMTNR1BCYP2D6ADRB2

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-4404384-A HYPOTENSIVE, ANTISPASMODIC, CHOLERETIC AGENTS; ANTICONUULSANTS; ANTIPYRETICS; ANTHELMINTICS; FUNGICIDWS HOECHST AKTIENGESELLSCHAFT (DE) 1983-09-13 US disclosed