SCHEMBL6823922

SCHEMBL6823922

COc1ccc2c(c1)c(OCCN(C)C)c(C)n2C(=O)c1ccccc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.47
CNR2 P34972 7/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 2/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
NFKB1 P19838 1/20 0.45
HIF1A Q16665 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HPGD P15428 2/20 0.43
PLA2G2A P14555 1/20 0.43
HTR6 P50406 1/20 0.43
PPARG P37231 1/20 0.42
PTGS2 P35354 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL6823561 0.89 MEN1 (0.42) CNR2MEN1KMT2ALMNACYP1A2
SCHEMBL6820214 0.88 MEN1 (0.41) CNR1CNR2MEN1KMT2AHPGD
SCHEMBL6817324 0.88 HTR6 (0.43) CNR1CNR2MEN1KMT2ATSHR
SCHEMBL6821066 0.87 HTR7 (0.42) CNR1CNR2MEN1KMT2ALMNA
SCHEMBL6817298 0.86 LMNA (0.61) MEN1KMT2ATSHRLMNACYP1A2
SCHEMBL3557435 0.82 HPGD (0.47) MEN1KMT2ATSHRLMNACYP1A2
SCHEMBL6821035 0.80 HTR6 (0.52) MEN1KMT2APLA2G2AHTR6
SCHEMBL6820274 0.79 HTR7 (0.39) MEN1KMT2ALMNACYP1A2CYP2D6
SCHEMBL6821026 0.78 KDM4E (0.41) MEN1KMT2ALMNASMN1; SMN2TDP1
SCHEMBL3563162 0.78 HTR6 (0.54) MEN1KMT2ACYP2D6HTR6CYP3A4

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
WO-2004048331-A1 N-ARYLALKYL-3-AMINOALKOXYINDOLES AND THEIR USE AS 5-HT LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2004-06-10 WO disclosed