SCHEMBL11244731

SCHEMBL11244731

Cc1cccc(C)c1NCCC(N)C(O)COc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 1/20 0.42
MAOA P21397 1/20 0.39
PTGS1 P23219 1/20 0.39
CYP2D6 P10635 2/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
SCN4A P35499 4/20 0.38
CASR P41180 2/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.36
ATM Q13315 1/20 0.36

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
Hydrochloric Acid SCHEMBL11237741 0.99 TSHR (0.43) TSHRHSD17B10LMNAMAOAPTGS1
SCHEMBL11243705 0.87 TSHR (0.46) TSHRHSD17B10LMNAMAOAPTGS1
SCHEMBL11239331 0.85 LMNA (0.39) LMNAMAOAPTGS1CYP2D6ADRB2
Hydrochloric Acid SCHEMBL11235606 0.84 LMNA (0.38) LMNAMAOAPTGS1CYP2D6ADRB2
SCHEMBL11238954 0.81 MAPT (0.47) LMNACYP2D6ADRB2ADRB1MAPT
Hydrochloric Acid SCHEMBL11230529 0.81 MAPT (0.50) LMNAMAOAPTGS1CYP2D6ADRB2
SCHEMBL11235538 0.81 HTT (0.47) TSHRHSD17B10LMNACYP2D6ADRB2
Hydrochloric Acid SCHEMBL11235230 0.81 MAPT (0.46) LMNACYP2D6ADRB2ADRB1MAPT
SCHEMBL11242824 0.80 TRPV4 (0.44) LMNAMAOAPTGS1CYP2D6ADRB2
SCHEMBL11229502 0.80 THRB (0.46) LMNAMAOAPTGS1CYP2D6ADRB2

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-4356322-A ADRENERGIC STIMULANTS; CARDIOTONIC AGENTS VEB ARZNEIMITTELWERK DRESDEN (DD) 1982-10-26 US claimed