SCHEMBL9958385

SCHEMBL9958385

COc1ccc2c(Nc3c(Cl)cncc3Cl)ccnc2c1OCCCCN1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.57
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
SRC P12931 6/20 0.46
FYN P06241 1/20 0.43
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43

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
SCHEMBL2239410 0.99 PDE4B (0.56) PDE4BCYP2D6TSHRSRCFYN
SCHEMBL2234544 0.97 PDE4B (0.58) PDE4BCYP2D6TSHRSRCFYN
SCHEMBL2234434 0.90 TSHR (0.46) PDE4BCYP2D6TSHRSRC
SCHEMBL2303094 0.89 PDE4B (0.56) PDE4BSRC
SCHEMBL2238647 0.83 SRC (0.47) PDE4BCYP2D6TSHRSRCFYN
SCHEMBL3678989 0.82 PDE4B (0.71) PDE4BCYP2D6TSHRSRC
SCHEMBL729253 0.81 PDE4B (0.51) PDE4BCYP2D6TSHRSRCFYN
SCHEMBL3683693 0.81 PDE4B (0.71) PDE4BSRC
SCHEMBL730436 0.80 PDE4B (0.51) PDE4BCYP2D6TSHRSRCFYN
SCHEMBL730970 0.80 PDE4B (0.51) PDE4BCYP2D6TSHRSRCFYN

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-2467376-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 Kalypsys, Inc. (US) 2012-06-27 EP claimed