SCHEMBL30355174

SCHEMBL30355174

[2H]N1CC[C@@]2(CCc3cc(-c4ncccn4)c(C)nc3N2)C1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MC4R P32245 15/20 0.46
PDE3B Q13370 2/20 0.34
PDE3A Q14432 2/20 0.34
MC5R P33032 1/20 0.32
MC3R P41968 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL30323413 0.88 MC4R (0.47) MC4RPDE3BPDE3AMC5RMC3R
SCHEMBL24094565 0.88 MC4R (0.47) MC4RPDE3BPDE3AMC5RMC3R
Hydrochloric Acid SCHEMBL30184821 0.87 MC4R (0.47) MC4RPDE3BPDE3AMC5RMC3R
Hydrochloric Acid SCHEMBL31099030 0.87 MC4R (0.47) MC4RPDE3BPDE3AMC5RMC3R
SCHEMBL30355163 0.83 MC4R (0.51) MC4R
Hydrochloric Acid SCHEMBL30184824 0.80 MC4R (0.39) MC4RPDE3BPDE3A
Hydrochloric Acid SCHEMBL31099031 0.77 MC4R (0.45) MC4RPDE3BPDE3AMC5RMC3R
Hydrochloric Acid SCHEMBL31099090 0.77 MC4R (0.45) MC4RPDE3BPDE3AMC5RMC3R
SCHEMBL30355167 0.73 MC4R (0.38) MC4RPDE3BPDE3AMC5RMC3R
Hydrochloric Acid SCHEMBL31207258 0.73 MC4R (0.36) MC4R

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-4161927-A1 SPIRO COMPOUNDS AS MELANOCORTIN 4 RECEPTOR ANTAGONISTS AND USES THEREOF Pfizer Inc. (US) 2023-04-12 EP disclosed