SCHEMBL11347140

SCHEMBL11347140

COc1cccc(C(=O)NC2CCN(CCCn3cnc4c(N)ncnc43)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.54
▸ MCHR1 Q99705 5/20 0.50
▸ CCR3 P51677 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ USP2 O75604 1/20 0.47
▸ CHKA P35790 1/20 0.46
▸ DRD4 P21917 1/20 0.46
▸ NSD3 Q9BZ95 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HPGDS O60760 1/20 0.44
▸ ADCY5 O95622 1/20 0.44

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
SCHEMBL11352914 0.90 NSD3 (0.52) POLBCCR3LMNACHKADRD4
SCHEMBL11349449 0.89 PIK3CD (0.46) POLBLMNAALDH1A1DRD4MEN1
SCHEMBL11352141 0.88 HTR1A (0.50) MCHR1DRD4ADCY5
SCHEMBL11345878 0.87 ADRA1D (0.54) POLBADCY5
SCHEMBL11342542 0.84 ADCY5 (0.50) ALDH1A1ADCY5
SCHEMBL11476823 0.84 ADCY5 (0.48) LMNAALDH1A1TSHRADCY5
SCHEMBL11339731 0.83 ADCY5 (0.48) ADCY5
SCHEMBL11340014 0.82 MEN1 (0.48) LMNAALDH1A1TSHRMEN1KMT2A
SCHEMBL11475372 0.82 ADCY5 (0.48) MCHR1DRD4NSD3ADCY5
SCHEMBL11485738 0.82 ADCY5 (0.48) MCHR1CCR3NSD3ADCY5

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
Send feedback