SCHEMBL20184276

SCHEMBL20184276

Cn1nc2c(c1-c1ccc(F)cc1)CCN(C=O)C2

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 4/20 0.49
▸ DPP4 P27487 1/20 0.41
▸ DPP8 Q6V1X1 1/20 0.41
▸ DPP7 Q9UHL4 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41
▸ HTR2A P28223 2/20 0.38
▸ HTR2C P28335 2/20 0.38
▸ HTR2B P41595 2/20 0.38
▸ HTR7 P34969 1/20 0.38

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
SCHEMBL28612255 0.88 P2RX7 (0.53) P2RX7HTR2AHTR2CHTR2B
SCHEMBL20184312 0.86 P2RX7 (0.43) P2RX7
SCHEMBL18880721 0.81 P2RX7 (0.47) P2RX7
SCHEMBL29844044 0.74 HTR2A (0.39) P2RX7HTR2AHTR2CHTR2B
SCHEMBL16089602 0.70 HTR2A (0.56) HTR2AHTR2CHTR2BHTR7
SCHEMBL16037607 0.69 P2RX7 (0.83) P2RX7
Hydrochloric Acid SCHEMBL16037283 0.69 HTR2A (0.55) HTR2AHTR2CHTR2BHTR7
SCHEMBL16089605 0.69 P2RX7 (0.78) P2RX7
SCHEMBL21819349 0.68 P2RX7 (0.67) P2RX7DPP4DPP8DPP7
SCHEMBL16036259 0.67 P2RX7 (1.00) P2RX7

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-2970267-B3 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-30 — — EP claimed
Send feedback