SCHEMBL9870296

SCHEMBL9870296

Cc1nnc(NCCN2CCN(c3ncccn3)CC2)c2cc3ccccn3c12

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.69
PDE4D Q08499 14/20 0.69
LMNA P02545 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CHRM1 P11229 1/20 0.40
CNR1 P21554 1/20 0.40
ACHE P22303 1/20 0.40
HTR2B P41595 1/20 0.40
KCNH2 Q12809 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL9870727 0.87 LMNA (0.53) PDE4BPDE4DLMNACYP3A4CYP1A2
SCHEMBL9872499 0.83 PDE4B (0.53) PDE4BPDE4DACHE
SCHEMBL9752995 0.82 PDE4B (0.60) PDE4BPDE4D
SCHEMBL9872416 0.81 PDE4B (0.59) PDE4BPDE4DLMNACYP3A4CYP1A2
SCHEMBL9871070 0.81 PDE4B (0.57) PDE4BPDE4D
SCHEMBL9752566 0.81 PDE4B (0.58) PDE4BPDE4DACHE
SCHEMBL9870196 0.80 PDE4B (0.56) PDE4BPDE4DLMNACYP3A4CYP1A2
SCHEMBL9870693 0.80 PDE4B (0.58) PDE4BPDE4DACHE
SCHEMBL9871473 0.80 PDE4B (0.55) PDE4BPDE4DACHE
SCHEMBL9752615 0.79 PDE4B (0.47) PDE4BPDE4DCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4985560-A Pyridazino(4,5-b)indolizines AMERICAN HOME PRODUCTS CORPORATION (US) 1991-01-15 US claimed
US-4985560-A Pyridazino(4,5-b)indolizines AMERICAN HOME PRODUCTS CORPORATION (US) 1991-01-15 US disclosed