SCHEMBL9686027

SCHEMBL9686027

[c]1ccc(CCOCCOCC2CCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.40
LMNA P02545 2/20 0.40
CYP2D6 P10635 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
KMT2A Q03164 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
ADRB2 P07550 1/20 0.39
GAA P10253 1/20 0.39
BLM P54132 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
SPHK1 Q9NYA1 3/20 0.34

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
SCHEMBL7303810 0.97 ADRB1 (0.40) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL7303225 0.97 ADRB1 (0.41) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL7302255 0.95 ADRB1 (0.39) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL7333026 0.93 ADRB1 (0.41) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL9687831 0.93 ADRB1 (0.41) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL9686839 0.92 DRD2 (0.47) MEN1KMT2ASIGMAR1DRD2HTR2A
SCHEMBL9686977 0.92 ADRB1 (0.40) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL4621588 0.90 ADRB1 (0.43) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL7298072 0.89 DRD2 (0.47) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL7331550 0.89 DRD2 (0.49) SIGMAR1DRD2HTR2AHTR2CHTR2B

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