SCHEMBL7435145

SCHEMBL7435145

CCCCc1ccc2c(c1)OCC(C(O)CNC1CCNCC1)O2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ADRB2 P07550 2/20 0.33
ADRB1 P08588 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
GNAI3 P08754 2/20 0.33
GNAO1 P09471 2/20 0.33
GNAI1 P63096 2/20 0.33
KMT2A Q03164 1/20 0.32
MLNR O43193 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD2 P14416 1/20 0.31
KCNE1 P15382 1/20 0.31

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
SCHEMBL7440201 0.85 ADRB2 (0.38) KDM4EITGB3ITGA2BADRB2ADRB1
SCHEMBL7435716 0.84 PNMT (0.33) KDM4ETSHRMAPK1ITGB3ITGA2B
SCHEMBL7434523 0.84 GNAI3 (0.31) ADRB2ADRB1GNAI3GNAO1GNAI1
SCHEMBL7433144 0.83 ADRB2 (0.35) ADRB2ADRB1KMT2AMLNRHTR1A
SCHEMBL7436499 0.82 GNAI3 (0.30) GNAI3GNAO1GNAI1
SCHEMBL7440923 0.82 THRA (0.37) KDM4EITGB3ITGA2BADRB2ADRB1
SCHEMBL7431324 0.81 CA2 (0.38) KDM4EADRB2ADRB1KMT2AMLNR
SCHEMBL7435524 0.81 CA2 (0.38) KDM4ETSHRADRB2ADRB1KMT2A
SCHEMBL7446282 0.81 LMNA (0.41) ADRB2ADRB1KMT2A
SCHEMBL7437011 0.81 SLC6A4 (0.35) ADRB2ADRB1KMT2AMLNRHTR1A

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-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed