SCHEMBL7971763

SCHEMBL7971763

CCc1ncnc(NC2CCC(c3ccccc3)OC2)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.39
ADORA2A P29274 5/20 0.39
ADORA2B P29275 5/20 0.39
ADORA1 P30542 5/20 0.39
BTK Q06187 12/20 0.37
MEN1 O00255 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL7973702 0.90 TSHR (0.36) ADORA3ADORA2AADORA2BADORA1BTK
SCHEMBL8490623 0.83 PRCP (0.46) ADORA3ADORA2AADORA2BADORA1BTK
SCHEMBL8490628 0.83 PRCP (0.46) ADORA3ADORA2AADORA2BADORA1BTK
SCHEMBL9058473 0.80 MEN1 (0.35) ADORA3ADORA2AADORA2BADORA1BTK
SCHEMBL8487365 0.76 BTK (0.42) BTK
SCHEMBL8486785 0.76 BTK (0.42) BTK
SCHEMBL19287695 0.76 KDM4E (0.36) ADORA3ADORA2AADORA2BADORA1BTK
SCHEMBL7977980 0.76 TP53 (0.33) ADORA3ADORA2AADORA2BADORA1BTK
SCHEMBL7970268 0.76 KDM4E (0.33)
SCHEMBL8490025 0.74 IRAK4 (0.45) BTK

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-6207668-B1 FOR CONTROLLING INSECTS OR THEIR EGGS; AS FUNGICIDES, OVICIDES OR AS VETERINARY MEDICAMENTS HOECHST SCHERING (DE) 2001-03-27 US disclosed