SCHEMBL4654790

SCHEMBL4654790

O=C(NCCCCN1CCCCC1)Nc1ccc(Br)cc1F

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FPR3 P25089 5/20 0.64
▸ FPR2 P25090 5/20 0.64
▸ MEN1 O00255 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ HTR3A P46098 3/20 0.57
▸ ADRA2A P08913 1/20 0.51
▸ ADRA2B P18089 1/20 0.51
▸ KCNH2 Q12809 1/20 0.51
▸ HTR4 Q13639 1/20 0.51
▸ HRH3 Q9Y5N1 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ PLK4 O00444 1/20 0.50
▸ AURKA O14965 1/20 0.50
▸ EPHB6 O15197 1/20 0.50
▸ RIPK2 O43353 1/20 0.50
▸ STK10 O94804 1/20 0.50
▸ MAP4K4 O95819 1/20 0.50
▸ ABL1 P00519 1/20 0.50
▸ EGFR P00533 1/20 0.50

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
SCHEMBL4654817 0.97 KMT2A (0.60) FPR3FPR2MEN1KMT2AHTR3A
SCHEMBL4654735 0.86 KMT2A (0.66) FPR3FPR2MEN1KMT2AHTR3A
SCHEMBL4654794 0.85 FPR3 (0.62) FPR3FPR2MEN1KMT2AHTR3A
SCHEMBL4654898 0.83 KMT2A (0.70) MEN1KMT2AKDM4EHSD17B10
SCHEMBL14006065 0.81 HTR3A (0.73) FPR3FPR2MEN1KMT2AHTR3A
SCHEMBL17678095 0.80 LMNA (0.58) FPR3FPR2KMT2AHTR3A
SCHEMBL4654739 0.80 HTR3A (0.67) FPR3FPR2MEN1KMT2AHTR3A
SCHEMBL4654811 0.79 HTR3A (0.55) MEN1KMT2AHTR3AADRA2AADRA2B
SCHEMBL2683962 0.79 FPR3 (1.00) FPR3FPR2
SCHEMBL29348969 0.78 LMNA (0.55) FPR2MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1991528-A2 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF Siena Biotech S.p.A. (IT) 2008-11-19 — — EP disclosed
WO-2007098826-A2 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF SIENA BIOTECH S.P.A. (IT) 2007-09-07 — — WO disclosed
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