SCHEMBL16913071

SCHEMBL16913071

NCCNCCCc1cc[c]cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.52
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL28265916 0.90 SIGMAR1 (0.50) SIGMAR1CA12CA2CA3CA4
SCHEMBL25381851 0.86 SIGMAR1 (0.47) SIGMAR1CA12CA2CA3CA4
SCHEMBL16892602 0.82 SIGMAR1 (0.50) SIGMAR1
SCHEMBL309769 0.81 MAOA (0.50) SIGMAR1
SCHEMBL16892534 0.79 SIGMAR1 (0.56) SIGMAR1
SCHEMBL16892525 0.79 SIGMAR1 (0.56) SIGMAR1
SCHEMBL9654444 0.79 MC4R (0.47) SIGMAR1CA12CA2CA3CA4
SCHEMBL737007 0.79 SIGMAR1 (0.83) SIGMAR1DRD2DRD4DRD3KCNH2
SCHEMBL3581333 0.79 MAOA (0.60) SIGMAR1
Hydrochloric Acid SCHEMBL9819821 0.78 SIGMAR1 (0.79) SIGMAR1DRD2DRD4DRD3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3097161-B1 A CYCLOALIPHATIC RESIN, METHOD FOR OBTAINING THE SAME AND ITS APPLICATION IN A HIGH RESISTANCE COATING CENTRO DE INVESTIG EN POLIMEROS S A DE C V (MX) 2019-03-13 EP disclosed
US-9540542-B2 Cycloaliphatic resin, method for obtaining the same and its application in a high resistance coating CENTRO DE INVESTIGACÍON EN POLÍMEROS S.A. DE C.V. 2017-01-10 US disclosed
EP-3097161-A1 A CYCLOALIPHATIC RESIN, METHOD FOR OBTAINING THE SAME AND ITS APPLICATION IN A HIGH RESISTANCE COATING Centro de Investigación en Polimeros, S.A. de C.V. (MX) 2016-11-30 EP disclosed
WO-2015110976-A1 A CYCLOALIPHATIC RESIN, METHOD FOR OBTAINING THE SAME AND ITS APPLICATION IN A HIGH RESISTANCE COATING CENTRO DE INVESTIGACION EN POLIMEROS S.A. DE C.V. (MX) 2015-07-30 WO disclosed
US-20150203717-A1 CYCLOALIPHATIC RESIN, METHOD FOR OBTAINING THE SAME AND ITS APPLICATION IN A HIGH RESISTANCE COATING CENTRO DE INVESTIGACION EN POLIMEROS S.A. DE C.V. (MX) 2015-07-23 US disclosed