SCHEMBL9856971

SCHEMBL9856971

CCOc1ccccc1C(CCN(C)C)Cc1cc(C(C)(C)C)ccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.33
TAAR1 Q96RJ0 1/20 0.32
ALDH1A1 P00352 3/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR2A P28223 2/20 0.32
CYP2C19 P33261 2/20 0.32
HTR1A P08908 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
HTR1E P28566 1/20 0.32
HTR7 P34969 1/20 0.32
HTR2B P41595 1/20 0.32
HTR5A P47898 1/20 0.32
HTR6 P50406 1/20 0.32
CFD P00746 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL9857042 0.71 SLC6A4 (0.48) KDM4EL3MBTL1ALDH1A1SMN1; SMN2HTR2A
SCHEMBL9856776 0.70 KDM4E (0.40) KDM4EALDH1A1RXFP1NPSR1
SCHEMBL18120367 0.67 CYP2C19 (0.47) KDM4EALDH1A1HTTSMN1; SMN2CYP2C19
SCHEMBL9857121 0.67 KDM4E (0.42) KDM4ETAAR1ALDH1A1HTTCYP2C19
SCHEMBL12412421 0.65 CYP2C19 (0.64) KDM4EL3MBTL1ALDH1A1HTTSMN1; SMN2
SCHEMBL9856602 0.64 CYP2D6 (0.45) L3MBTL1TAAR1ALDH1A1HTTHTR2A
SCHEMBL11542294 0.62 ESR1 (0.46) L3MBTL1ALDH1A1CYP2C19RAB9AATM
SCHEMBL9856563 0.62 TAAR1 (0.53) L3MBTL1TAAR1HTTHTR2ACYP2C19
SCHEMBL19121266 0.62 ALDH1A1 (0.51) KDM4EL3MBTL1ALDH1A1HTTSMN1; SMN2
SCHEMBL11300314 0.62 SLC5A2 (0.51)

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