SCHEMBL20895841

SCHEMBL20895841

CCCCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)cc3ccccc13)c(=O)n2C

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.80
▸ CHRM1 P11229 4/20 0.80
▸ POU2F2 P09086 1/20 0.57
▸ ADORA3 P0DMS8 1/20 0.57
▸ POU2F1 P14859 1/20 0.57
▸ CHRM3 P20309 1/20 0.57
▸ HRH2 P25021 1/20 0.57
▸ MC4R P32245 1/20 0.57
▸ FAP Q12884 1/20 0.57
▸ DPP8 Q6V1X1 1/20 0.57
▸ DPP9 Q86TI2 1/20 0.57
▸ GHSR Q92847 1/20 0.57

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
SCHEMBL20895842 1.00 DPP4 (0.80) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL12649735 0.93 DPP4 (0.83) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL637553 0.89 DPP4 (1.00) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL637554 0.89 DPP4 (1.00) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL29643261 0.89 DPP4 (1.00) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL637581 0.89 DPP4 (1.00) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL639281 0.88 DPP4 (0.78) DPP4CHRM1
SCHEMBL639173 0.88 DPP4 (1.00) DPP4CHRM1
SCHEMBL639172 0.88 DPP4 (1.00) DPP4CHRM1
SCHEMBL639108 0.88 DPP4 (0.78) DPP4CHRM1

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-2190434-B1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAP-RELATED DISEASES BOEHRINGER INGELHEIM INT (DE) 2019-04-17 — — EP claimed
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