SCHEMBL11469779

SCHEMBL11469779

CC(=O)N1CCCC1C#N.[NaH]

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.60
PREP P48147 1/20 0.58
DPP8 Q6V1X1 3/20 0.55
DPP9 Q86TI2 3/20 0.55
CHRM2 P08172 3/20 0.53
CHRM4 P08173 3/20 0.53
CHRM5 P08912 3/20 0.53
CHRM1 P11229 3/20 0.53
CHRM3 P20309 3/20 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
SCHEMBL4465428 0.98 DPP4 (0.62) DPP4PREPDPP8DPP9CHRM2
SCHEMBL1239549 0.98 DPP4 (0.62) DPP4PREPDPP8DPP9CHRM2
Hydrochloric Acid SCHEMBL27511587 0.96 DPP4 (0.60) DPP4PREPDPP8DPP9CHRM2
Hydrochloric Acid SCHEMBL5964647 0.96 DPP4 (0.60) DPP4PREPDPP8DPP9CHRM2
Hydrochloric Acid SCHEMBL5964641 0.96 DPP4 (0.60) DPP4PREPDPP8DPP9CHRM2
Ammonia Solution, Strong SCHEMBL27597606 0.96 DPP4 (0.60) DPP4PREPDPP8DPP9CHRM2
SCHEMBL11451025 0.94 CHRM2 (0.55) DPP4PREPDPP8DPP9CHRM2
SCHEMBL11820231 0.92 CHRM2 (0.57) DPP4PREPDPP8DPP9CHRM2
SCHEMBL1819999 0.80 CHRM2 (0.56) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL2269972 0.80 CHRM2 (0.56) CHRM2CHRM4CHRM5CHRM1CHRM3

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-0008802-A1 Ergoline derivatives, their preparation and therapeutic composition containing them FARMITALIA CARLO ERBA S.p.A. (IT) 1980-03-19 EP disclosed