SCHEMBL4699121

SCHEMBL4699121

O=C(O)N1CCc2nn(Cc3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)c(-c3ccc(Cl)cc3)c2CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
PTGER1 P34995 10/20 0.41
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP19A1 P11511 1/20 0.39
ATM Q13315 1/20 0.39
KCNA3 P22001 1/20 0.39
SLC16A3 O15427 1/20 0.38
SLC16A1 P53985 1/20 0.38
MCTS1 Q9ULC4 1/20 0.38

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
SCHEMBL2076740 0.89 PTGER1 (0.43) MEN1KMT2APTGER1SLC16A3SLC16A1
SCHEMBL1476402 0.84 HTR2A (0.50) MEN1KMT2AATM
SCHEMBL2077305 0.76 SLC16A3 (0.44) MEN1KMT2ASMN1; SMN2CYP19A1SLC16A3
SCHEMBL4419012 0.75 KCNK3 (0.46) KMT2A
SCHEMBL3087986 0.73 NR1H2 (0.50) MEN1KMT2ALMNASMN1; SMN2
SCHEMBL2076060 0.71 P2RX7 (0.41) ATM
SCHEMBL2077121 0.71 PREP (0.42) MEN1KMT2ASMN1; SMN2SLC16A3SLC16A1
SCHEMBL2076518 0.70 HTR7 (0.74) MEN1KMT2AATM
SCHEMBL4419022 0.70 HTR7 (0.65) MEN1KMT2A
SCHEMBL2074756 0.70 KDM1A (0.44) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1905774-B1 Fused heterocyclic compounds as serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2013-02-20 EP disclosed
EP-1944306-A1 Fused heterocyclic compounds as serotonin receptor modulators Janssen Pharmaceutica, N.V. (BE) 2008-07-16 EP disclosed
EP-1905774-A1 Fused heterocyclic compounds as serotonin receptor modulators Janssen Pharmaceutica, N.V. (BE) 2008-04-02 EP disclosed
EP-1668014-A2 FUSED HETEROCYCLIC COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-14 EP disclosed
WO-2005040169-A2 FUSED HETEROCYCLIC COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-05-06 WO disclosed