SCHEMBL11239331

SCHEMBL11239331

NC(CCNc1c(Cl)cccc1Cl)C(O)COc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 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
TRPV4 Q9HBA0 1/20 0.38
SCN4A P35499 4/20 0.38
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAOA P21397 1/20 0.36
PTGS1 P23219 1/20 0.36
CYP2D6 P10635 2/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CASR P41180 1/20 0.35

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 SCHEMBL11235606 0.99 LMNA (0.38) LMNAMEN1KMT2AOPRM1OPRD1
SCHEMBL11242824 0.90 TRPV4 (0.44) LMNAMEN1KMT2AOPRM1OPRD1
SCHEMBL11231201 0.87 NPC1 (0.43) LMNAMEN1KMT2AOPRM1OPRD1
Hydrochloric Acid SCHEMBL11226919 0.86 ADRB2 (0.42) LMNAMEN1KMT2AOPRM1OPRD1
SCHEMBL11244731 0.85 TSHR (0.43) LMNAMEN1KMT2AOPRM1OPRD1
SCHEMBL11229502 0.84 THRB (0.46) LMNAMEN1KMT2ATRPV4MAPT
Hydrochloric Acid SCHEMBL11237741 0.84 TSHR (0.43) LMNAMEN1KMT2AOPRM1OPRD1
Hydrochloric Acid SCHEMBL11238434 0.83 THRB (0.46) LMNAMEN1KMT2ATRPV4MAPT
SCHEMBL11237785 0.82 SCN4A (0.46) LMNAMEN1KMT2AOPRM1OPRD1
SCHEMBL11238354 0.81 TRPV4 (0.48) LMNAMEN1KMT2ATRPV4SCN4A

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