SCHEMBL10697880

SCHEMBL10697880

CC(Oc1ccccc1)c1ccccn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
KDM4E B2RXH2 3/20 0.50
ADRA2A P08913 2/20 0.47
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
NISCH Q9Y2I1 1/20 0.47
SLC6A3 Q01959 2/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
GABRA1 P14867 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
BRD4 O60885 1/20 0.44
CREBBP Q92793 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL22874558 0.86 POLB (0.53) POLBKDM4EADRA2AMAOAMAOB
SCHEMBL3646089 0.84 KMT2A (0.54) POLBKDM4EADRA2ASLC6A3BRD4
SCHEMBL22874530 0.83 POLB (0.43) POLBKDM4EADRA2ASLC6A3SLC6A2
SCHEMBL22874531 0.82 TDP1 (0.43) POLBKDM4EADRA2ASLC6A3GABRA1
SCHEMBL27967202 0.82 BRD4 (0.44) POLBKDM4EADRA2ASLC6A3SLC6A4
SCHEMBL27967203 0.82 BRD4 (0.44) POLBKDM4EADRA2ASLC6A3SLC6A4
SCHEMBL10656947 0.80 SLC6A2 (0.50) POLBKDM4EADRA2ASLC6A3SLC6A2
SCHEMBL23405959 0.80 TRPM8 (0.48) POLBKDM4EBRD4CREBBPSMN1; SMN2
SCHEMBL29743964 0.80 TRPM8 (0.48) POLBKDM4EBRD4CREBBPSMN1; SMN2
SCHEMBL3646066 0.80 BRD4 (0.45) POLBKDM4EADRA2ASLC6A3BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0279707-A2 Aryloxymethyl derivatives of nitrogenous heterocyclic methanols and ethers thereof having cardiovascular activity A.H. ROBINS COMPANY, INCORPORATED (US) 1988-08-24 EP claimed
US-9206128-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-12-08 US disclosed