SCHEMBL9856467

SCHEMBL9856467

CNCCC(Cc1ccc(OC(C)C)cc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.52
MEN1 O00255 9/20 0.49
KMT2A Q03164 9/20 0.49
MITF O75030 1/20 0.49
LMNA P02545 4/20 0.47
NPC1 O15118 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 2/20 0.47
MTOR P42345 2/20 0.47
RAB9A P51151 2/20 0.47
HTR2A P28223 2/20 0.47
HRH1 P35367 2/20 0.47
CYP3A4 P08684 2/20 0.47
SLC6A2 P23975 2/20 0.47
HTR2C P28335 2/20 0.47
SLC6A3 Q01959 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL9856612 0.86 ALDH1A1 (0.61) SLC6A4MEN1KMT2ACYP2D6CYP2C19
SCHEMBL9857112 0.84 HTR2A (0.53) SLC6A4MEN1KMT2ALMNACYP2D6
SCHEMBL8384207 0.83 HTR2A (0.60) SLC6A4MEN1KMT2ALMNACYP2D6
SCHEMBL9856505 0.81 HTR2A (0.53) SLC6A4MEN1KMT2ALMNACYP2D6
SCHEMBL31090048 0.81 ESR1 (0.49) MEN1KMT2AMITFNPC1RAB9A
SCHEMBL9857294 0.81 HTR2A (0.53) SLC6A4MEN1KMT2ALMNACYP2D6
SCHEMBL9857068 0.81 SLC6A4 (0.47) SLC6A4MEN1KMT2AMITFLMNA
SCHEMBL9857051 0.80 ALDH1A1 (0.69) SLC6A4MEN1KMT2ACYP2D6CYP2C19
SCHEMBL9856731 0.80 SLC6A4 (0.55) SLC6A4MEN1KMT2ALMNACYP2D6
SCHEMBL9856936 0.80 SLC6A4 (0.55) SLC6A4MEN1KMT2ACYP2D6CYP2C19

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-4996235-A Selectively inhibiting the uptake of serotonin and norepinephrine ELI LILLY AND COMPANY (US) 1991-02-26 US disclosed