SCHEMBL11242824

SCHEMBL11242824

NC(CCNc1c(Cl)cc(Cl)cc1Cl)C(O)COc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 5/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SCN4A P35499 4/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
MAOA P21397 1/20 0.35
PTGS1 P23219 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
CYP2D6 P10635 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
SCHEMBL11239331 0.90 LMNA (0.39) TRPV4MEN1KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL11235606 0.89 LMNA (0.38) TRPV4MEN1KMT2ANPC1RAB9A
SCHEMBL11238354 0.87 TRPV4 (0.48) TRPV4MEN1KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL11233898 0.86 TRPV4 (0.47) TRPV4MEN1KMT2ANPC1RAB9A
SCHEMBL11237785 0.82 SCN4A (0.46) TRPV4MEN1KMT2ASCN4AOPRM1
SCHEMBL11231201 0.82 NPC1 (0.43) TRPV4MEN1KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL11226919 0.81 ADRB2 (0.42) TRPV4MEN1KMT2ANPC1RAB9A
SCHEMBL11244731 0.80 TSHR (0.43) MEN1KMT2ASCN4AOPRM1OPRD1
Hydrochloric Acid SCHEMBL11230529 0.79 MAPT (0.50) MEN1KMT2AL3MBTL1SCN4AOPRM1
Hydrochloric Acid SCHEMBL11237741 0.79 TSHR (0.43) MEN1KMT2ASCN4AOPRM1OPRD1

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