SCHEMBL10345879

SCHEMBL10345879

O=CN1CCSCC1c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 5/20 0.33
RIPK1 Q13546 4/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 3/20 0.33
POLB P06746 2/20 0.33
RECQL P46063 1/20 0.32
MITF O75030 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TSHR P16473 1/20 0.31
ALPL P05186 1/20 0.30
ALPI P09923 1/20 0.30
ADRA2B P18089 1/20 0.30
DRD1 P21728 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL29138868 0.80 PRKCZ (0.34) KMT2AMEN1
SCHEMBL29138838 0.80 PRKCZ (0.34) KMT2AMEN1
SCHEMBL29138822 0.80 PRKCZ (0.34) KMT2AMEN1
SCHEMBL28527413 0.77 RIPK1 (0.45) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL10079169 0.74 CHRNB2 (0.55) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL13330544 0.74 CHRNB2 (0.55) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL14152057 0.73 CHRNB2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL8846952 0.72 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL4019471 0.72 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL8846954 0.72 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0248854-B1 NOVEL BISPHOSPHONIC DERIVATIVES, A METHOD FOR THEIR PRODUCTION AND A PHARMACEUTICAL COMPOSITION LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 1990-04-25 EP disclosed
US-4870063-A Bisphosphonic acid derivatives, their production and use LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 1989-09-26 US disclosed
EP-0248854-A1 NOVEL BISPHOSPHONIC DERIVATIVES, A METHOD FOR THEIR PRODUCTION AND A PHARMACEUTICAL COMPOSITION. LEO PHARM PROD LTD (DK) 1987-12-16 EP disclosed
WO-1987003598-A1 NOVEL BISPHOSPHONIC DERIVATIVES, A METHOD FOR THEIR PRODUCTION AND A PHARMACEUTICAL COMPOSITION LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 1987-06-18 WO disclosed