SCHEMBL9735865

SCHEMBL9735865

CCCCOc1ccc(CCC(C)N(C)Cc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.59
KDM4E B2RXH2 1/20 0.49
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
SLC6A2 P23975 1/20 0.48
HTR2A P28223 1/20 0.48
SLC6A4 P31645 1/20 0.48
ADRA1A P35348 1/20 0.48
OPRK1 P41145 1/20 0.48
SLC6A3 Q01959 1/20 0.48
KCNH2 Q12809 1/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
LTA4H P09960 2/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA7 P36544 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL10514011 0.85 BCHE (0.48) BCHEMEN1KMT2A
Hydrochloric Acid SCHEMBL9734278 0.83 BCHE (0.47) BCHEMEN1KMT2A
SCHEMBL9734223 0.82 HRH3 (0.50) BCHEMEN1KMT2A
Hydrochloric Acid SCHEMBL9734547 0.80 HRH3 (0.49) BCHEMEN1KMT2A
SCHEMBL9734600 0.79 HRH3 (0.47) BCHEMEN1KMT2A
Hydrochloric Acid SCHEMBL9735546 0.78 HRH3 (0.46) BCHEMEN1KMT2ALTA4H
SCHEMBL11289148 0.78 LTA4H (0.66) MEN1KMT2ALTA4HNPC1RAB9A
SCHEMBL15329137 0.77 KCNH2 (0.59) KDM4EADRA2BADRA2CSLC6A2HTR2A
SCHEMBL15329172 0.77 KCNH2 (0.59) KDM4EADRA2BADRA2CSLC6A2HTR2A
SCHEMBL29230008 0.77 KCNH2 (0.59) KDM4EADRA2BADRA2CSLC6A2HTR2A

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-5135955-A Anticoagulants or antifungal activity ELI LILLY AND COMPANY (US) 1992-08-04 US disclosed