SCHEMBL14363775

SCHEMBL14363775

CC(C)C1OCC2c3c(c4ccccc4n3C)CCN21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 1/20 0.41
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MAOA P21397 3/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ ALOX15 P16050 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ ADRA1A P35348 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ GPR3 P46089 1/20 0.33
▸ HTR5A P47898 2/20 0.32
▸ ABCB1 P08183 1/20 0.32
▸ ABCG2 Q9UNQ0 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
SCHEMBL14363772 0.84 SLC6A4 (0.43) SLC6A4MEN1KMT2AMAOACYP1A2
SCHEMBL14363778 0.81 SLC6A4 (0.39) SLC6A4MEN1KMT2AMAOACYP1A2
SCHEMBL14363769 0.75 SMPD1 (0.41) SLC6A4MEN1KMT2ACYP1A2MAPK1
SCHEMBL3858428 0.69 MCHR1 (0.52) SLC6A4CYP1A2CYP2D6ADRA1ATSHR
SCHEMBL3857346 0.68 MCHR1 (0.52) SLC6A4CYP1A2CYP2D6ADRA1ATSHR
SCHEMBL13877240 0.67 SLC6A4 (0.46) SLC6A4MEN1KMT2AMAOACYP1A2
SCHEMBL14363768 0.66 SLC6A4 (0.48) SLC6A4MEN1KMT2AMAOAKDM4E
SCHEMBL3867340 0.66 SLC6A4 (0.62) SLC6A4MAOACYP1A2CYP2D6ADRA1A
Mimbane SCHEMBL488924 0.63 SLC6A4 (0.48) SLC6A4MEN1KMT2ACYP1A2CYP2D6
SCHEMBL14627593 0.63 SLC6A4 (0.48) SLC6A4MAOACYP1A2CYP2D6HTR2A

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-2007147819-A1 3H,11H-OXAZOLO[3',4':1,2]PYRIDO[3,4-B]INDOLE DERIVATIVES AND THERAPEUTIC USE THEREOF FOURTILLAN (FR) 2007-12-27 — — WO disclosed
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