SCHEMBL9687578

SCHEMBL9687578

O=C1CCC(c2ccc(OCCNCC(O)COc3ccc(CCOCC4CCC4)cc3)c(Cl)c2)=NN1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.46
LMNA P02545 2/20 0.46
CYP2D6 P10635 1/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
KMT2A Q03164 1/20 0.46
ADRB2 P07550 1/20 0.46
GAA P10253 1/20 0.46
BLM P54132 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
ADRB3 P13945 1/20 0.37

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
SCHEMBL9687378 0.98 LMNA (0.46) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL9686874 0.95 ADRB1 (0.47) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL7303937 0.91 LMNA (0.51) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL7296328 0.90 LMNA (0.47) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL7296572 0.89 ADRB1 (0.49) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL7302884 0.89 ADRB1 (0.52) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL7300175 0.89 ADRB1 (0.47) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL7304907 0.88 KMT2A (0.44) LMNAKMT2AADRB2ADRB3
SCHEMBL7302577 0.88 LMNA (0.53) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL14023059 0.88 ADRB2 (0.47) ADRB1CYP2D6KMT2AADRB2ADRB3

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-5135932-A 2-HYDROXYPROPYLAMINO-ALKYL-BENZIMIDAZOLY-5-YL DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEART DISEASE DR. KARL THOMAE GMBH (DE) 1992-08-04 US disclosed