SCHEMBL20099488

SCHEMBL20099488

c1cnc2c(c1)C1CCC1O2

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
P2RX7 Q99572 8/20 0.32
PDK2 Q15119 1/20 0.32
CHRNA7 P36544 1/20 0.31
HTR3A P46098 1/20 0.31
MAPT P10636 1/20 0.31
LTA4H P09960 1/20 0.31

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
SCHEMBL12835650 0.78 SIGMAR1 (0.40) CHRNB4CHRNA3CHRNB2CHRNA4HTR3A
SCHEMBL9963159 0.75 CHRNB4 (0.36) CHRNB4CHRNA3CHRNB2CHRNA4P2RX7
SCHEMBL26227708 0.68 ESR1 (0.42) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2739293 0.65 AKR1B1 (0.33) CHRNB4CHRNA3CHRNB2CHRNA4CA12
SCHEMBL23219886 0.63 P2RX7 (0.32) P2RX7LTA4H
SCHEMBL1707825 0.63 P2RX7 (0.32) CHRNB4CHRNA3CHRNB2CHRNA4P2RX7
SCHEMBL1266807 0.63 P2RX7 (0.48) P2RX7
SCHEMBL22270534 0.63 P2RX7 (0.45) P2RX7
SCHEMBL1806673 0.63 P2RX7 (0.41) P2RX7
SCHEMBL1804370 0.63 P2RX7 (0.41) P2RX7

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
US-9957280-B2 Luminescent compound and electroluminescent device exhibiting thermally activated delayed fluorescence SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-05-01 US disclosed