SCHEMBL11345878

SCHEMBL11345878

Nc1ncnc2c1ncn2CCCN1CCC(NC(=O)c2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADRA1D P25100 1/20 0.54
▸ ADRA1A P35348 1/20 0.54
▸ ADRA1B P35368 1/20 0.54
▸ EGFR P00533 2/20 0.53
▸ CARM1 Q86X55 1/20 0.51
▸ PRMT6 Q96LA8 1/20 0.51
▸ ADCY5 O95622 4/20 0.49
▸ ADORA2A P29274 3/20 0.47
▸ TLR9 Q9NR96 1/20 0.46
▸ TLR7 Q9NYK1 1/20 0.46
▸ POLB P06746 1/20 0.45

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
SCHEMBL11339731 0.94 ADCY5 (0.48) ADRA1DADRA1AADRA1BEGFRCARM1
SCHEMBL11342542 0.93 ADCY5 (0.50) ADRA1DADRA1AADRA1BEGFRADCY5
SCHEMBL11340483 0.93 ADORA2A (0.48) ADRA1DADRA1AADRA1BEGFRCARM1
SCHEMBL11476823 0.91 ADCY5 (0.48) ADRA1DADRA1AADRA1BADCY5ADORA2A
SCHEMBL11475372 0.91 ADCY5 (0.48) ADRA1DADRA1AADRA1BEGFRADCY5
SCHEMBL11485738 0.91 ADCY5 (0.48) ADRA1DADRA1AADRA1BADCY5ADORA2A
SCHEMBL11352141 0.89 HTR1A (0.50) ADRA1DADRA1AADRA1BEGFRADCY5
SCHEMBL11349449 0.89 PIK3CD (0.46) EGFRADCY5POLB
SCHEMBL11340014 0.89 MEN1 (0.48) ADRA1DADRA1AADRA1BADCY5ADORA2A
SCHEMBL11342473 0.89 ADRA1D (0.54) ADRA1DADRA1AADRA1BCARM1PRMT6

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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