SCHEMBL11475372

SCHEMBL11475372

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

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADCY5 O95622 4/20 0.48
▸ NSD2 O96028 1/20 0.48
▸ NSD3 Q9BZ95 1/20 0.48
▸ ADORA2A P29274 3/20 0.46
▸ ADRA1D P25100 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ ADRA1B P35368 1/20 0.43
▸ MCHR1 Q99705 1/20 0.43
▸ FGFR1 P11362 1/20 0.42
▸ SLC22A6 Q4U2R8 1/20 0.42
▸ ADCY1 Q08828 1/20 0.42
▸ ADORA1 P30542 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ DRD4 P21917 1/20 0.42
▸ METTL3 Q86U44 1/20 0.42
▸ METTL14 Q9HCE5 1/20 0.42
▸ P2RX7 Q99572 1/20 0.41
▸ EGFR P00533 1/20 0.41

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
SCHEMBL11339731 0.92 ADCY5 (0.48) ADCY5ADORA2AADRA1DADRA1AADRA1B
SCHEMBL11476823 0.91 ADCY5 (0.48) ADCY5ADORA2AADRA1DADRA1AADRA1B
SCHEMBL11485738 0.91 ADCY5 (0.48) ADCY5NSD2NSD3ADORA2AADRA1D
SCHEMBL11345878 0.91 ADRA1D (0.54) ADCY5ADORA2AADRA1DADRA1AADRA1B
SCHEMBL11352141 0.90 HTR1A (0.50) ADCY5ADORA2AADRA1DADRA1AADRA1B
SCHEMBL11340014 0.89 MEN1 (0.48) ADCY5ADORA2AADRA1DADRA1AADRA1B
SCHEMBL11352914 0.89 NSD3 (0.52) ADCY5NSD3ADORA2AFGFR1DRD4
SCHEMBL11477028 0.89 NSD2 (0.51) ADCY5NSD2NSD3ADORA2AADRA1D
Hydrochloric Acid SCHEMBL11476615 0.89 MEN1 (0.48) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4212866-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, ANTIEDEMIC AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1980-07-15 — — US claimed
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