SCHEMBL17907942

SCHEMBL17907942

Clc1ccc2c(c1)cc1n2CC(NCc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 11/20 0.49
ACHE P22303 10/20 0.49
BACE1 P56817 10/20 0.49
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GRIN2B Q13224 5/20 0.44
POLB P06746 1/20 0.38
CCR3 P51677 1/20 0.38
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37

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
SCHEMBL17907991 0.91 BCHE (0.49) BCHEACHEBACE1MEN1KMT2A
SCHEMBL13279646 0.87 GRIN2B (0.49) BCHEACHEBACE1GRIN2B
SCHEMBL17907992 0.86 ACHE (0.48) BCHEACHEBACE1MEN1KMT2A
SCHEMBL17907975 0.86 CCR3 (0.50) BCHEACHEBACE1GRIN2BCCR3
SCHEMBL17908001 0.83 MAOA (0.47) BCHEACHEBACE1MEN1KMT2A
SCHEMBL17907961 0.81 BCHE (0.53) BCHEACHEBACE1GRIN2BCCR3
SCHEMBL17907977 0.79 CCR3 (0.50) BCHEACHEBACE1GRIN2BCCR3
SCHEMBL17907999 0.76 BCHE (0.51) BCHEACHEBACE1GRIN2BCCR3
SCHEMBL17908006 0.75 NOS3 (0.41) MEN1KMT2AGRIN2B
SCHEMBL17907979 0.68 PTGDR2 (0.39) KMT2A

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
EP-2697223-B1 7-(HETEROARYL-AMINO)-6,7,8,9-TETRAHYDROPYRIDO[1,2-A]INDOL ACETIC ACID DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2016-07-13 EP disclosed