SCHEMBL11484522

SCHEMBL11484522

CCCCNC(=O)NCC1CCN(c2ncnc3cc(OC)c(OC)cc23)CC1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 7/20 0.62
MAPK1 P28482 1/20 0.60
KDR P35968 3/20 0.55
PDGFRB P09619 6/20 0.54
ACHE P22303 1/20 0.53
BACE1 P56817 1/20 0.53
PDGFRA P16234 2/20 0.53

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
Buquineran SCHEMBL783795 0.89 ENPP1 (0.60) ENPP1MAPK1KDRPDGFRBACHE
SCHEMBL20814063 0.87 ENPP1 (0.68) ENPP1MAPK1PDGFRBACHEBACE1
SCHEMBL22291145 0.84 ENPP1 (0.69) ENPP1MAPK1PDGFRBACHEBACE1
SCHEMBL11494695 0.80 ENPP1 (0.59) ENPP1MAPK1PDGFRBACHEBACE1
SCHEMBL4969179 0.80 PDGFRB (0.69) ENPP1MAPK1PDGFRBPDGFRA
SCHEMBL22407367 0.79 ENPP1 (0.70) ENPP1MAPK1PDGFRBACHEBACE1
SCHEMBL11494694 0.79 ENPP1 (0.61) ENPP1MAPK1PDGFRBACHEBACE1
Hydrochloric Acid SCHEMBL10797414 0.79 ENPP1 (0.61) ENPP1MAPK1PDGFRBACHEBACE1
SCHEMBL22291036 0.79 ENPP1 (0.72) ENPP1MAPK1PDGFRBACHEBACE1
SCHEMBL22455162 0.78 ENPP1 (0.80) ENPP1MAPK1ACHEBACE1

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-4188391-A 4-[4-(Substituted)piperidino]quinazoline cardiac stimulants PFIZER INC. (US) 1980-02-12 US disclosed