SCHEMBL14363778

SCHEMBL14363778

Cn1c2c(c3ccccc31)CCN1C2COC1c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 2/20 0.39
▸ ABCB1 P08183 1/20 0.39
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 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
▸ HTR5A P47898 1/20 0.34
▸ ALOX15 P16050 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ MAOA P21397 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ ADRA1A P35348 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ DRD1 P21728 2/20 0.33
▸ DRD2 P14416 1/20 0.33

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
SCHEMBL14363769 0.89 SMPD1 (0.41) SLC6A4MEN1KMT2ACYP1A2HTR5A
SCHEMBL14363772 0.84 SLC6A4 (0.43) SLC6A4ABCB1ABCG2MEN1KMT2A
SCHEMBL14363775 0.81 SLC6A4 (0.41) SLC6A4ABCB1ABCG2MEN1KMT2A
SCHEMBL14364155 0.72 ADRA1D (0.50) ABCB1ABCG2MEN1KMT2ACYP1A2
SCHEMBL3858428 0.69 MCHR1 (0.52) SLC6A4CYP1A2CYP2D6ADRA1A
SCHEMBL3857346 0.68 MCHR1 (0.52) SLC6A4CYP1A2CYP2D6ADRA1A
SCHEMBL16373144 0.68 ABCB1 (0.47) SLC6A4ABCB1ABCG2CYP1A2CYP2D6
SCHEMBL13877240 0.67 SLC6A4 (0.46) SLC6A4MEN1KMT2ACYP1A2CYP2D6
SCHEMBL13877239 0.66 SLC6A4 (0.43) SLC6A4MEN1KMT2ACYP1A2CYP2D6
SCHEMBL14363768 0.66 SLC6A4 (0.48) SLC6A4MEN1KMT2AHTR5AMAOA

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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