SCHEMBL11339731

SCHEMBL11339731

Nc1ncnc2c1ncn2CCCN1CCC(NC(=O)c2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADCY5 O95622 4/20 0.48
▸ ADORA2A P29274 4/20 0.47
▸ ADRA1D P25100 1/20 0.46
▸ ADRA1A P35348 1/20 0.46
▸ ADRA1B P35368 1/20 0.46
▸ EP300 Q09472 2/20 0.45
▸ EGFR P00533 1/20 0.44
▸ ADORA1 P30542 1/20 0.43
▸ FGFR1 P11362 1/20 0.43
▸ SLC22A6 Q4U2R8 1/20 0.43
▸ ADCY1 Q08828 1/20 0.43
▸ CARM1 Q86X55 1/20 0.43
▸ PRMT6 Q96LA8 1/20 0.43
▸ METTL3 Q86U44 1/20 0.42
▸ METTL14 Q9HCE5 1/20 0.42

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
SCHEMBL11342542 0.94 ADCY5 (0.50) ADCY5ADORA2AADRA1DADRA1AADRA1B
SCHEMBL11345878 0.94 ADRA1D (0.54) ADCY5ADORA2AADRA1DADRA1AADRA1B
SCHEMBL11475372 0.92 ADCY5 (0.48) ADCY5ADORA2AADRA1DADRA1AADRA1B
SCHEMBL11485738 0.92 ADCY5 (0.48) ADCY5ADORA2AADRA1DADRA1AADRA1B
SCHEMBL11476823 0.92 ADCY5 (0.48) ADCY5ADORA2AADRA1DADRA1AADRA1B
SCHEMBL11340483 0.90 ADORA2A (0.48) ADCY5ADORA2AADRA1DADRA1AADRA1B
SCHEMBL11340014 0.90 MEN1 (0.48) ADCY5ADORA2AADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL11476615 0.89 MEN1 (0.48) ADCY5ADORA2AADRA1DADRA1AADRA1B
SCHEMBL11352914 0.89 NSD3 (0.52) ADCY5ADORA2AFGFR1
SCHEMBL11477028 0.89 NSD2 (0.51) ADCY5ADORA2AADRA1DADRA1AADRA1B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0003558-B1 9-(3-PIPERIDINOPROPYL)-PURINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Roche Diagnostics GmbH (DE) 1981-10-21 — — EP disclosed
US-4212866-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, ANTIEDEMIC AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1980-07-15 — — US disclosed
EP-0003558-A1 9-(3-Piperidinopropyl)-purine derivatives, processes for their preparation, their use and pharmaceutical compositions containing them Roche Diagnostics GmbH (DE) 1979-08-22 — — EP disclosed
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