SCHEMBL7323296

SCHEMBL7323296

[c]1ccc(COCCOCC2CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSK P43235 1/20 0.37
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
NAAA Q02083 1/20 0.34
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL9687339 0.93 CTSL (0.35) CTSLCTSBCTSKDRD2HTR2A
SCHEMBL7328275 0.93 CTSL (0.35) CTSLCTSBCTSKDRD2HTR2A
SCHEMBL7321608 0.92 NAAA (0.35) CTSLCTSBCTSKNAAA
SCHEMBL6347240 0.91 CTSL (0.43) CTSLCTSBCTSKNAAA
SCHEMBL7333026 0.84 ADRB1 (0.41) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL7303445 0.84 CTSL (0.41) CTSLCTSBCTSKNAAA
SCHEMBL4621588 0.84 ADRB1 (0.43) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL9685940 0.84 CTSL (0.41) CTSLCTSBCTSKNAAA
SCHEMBL7301723 0.83 SIGMAR1 (0.49) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL7294313 0.82 NAAA (0.40) CTSLCTSBCTSKNAAA

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-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
EP-0400519-A1 2-Hydroxy-n-propylamines, medicaments containing these compounds and method for preparing them Dr. Karl Thomae GmbH (DE) 1990-12-05 EP disclosed