SCHEMBL8309830

SCHEMBL8309830

Cc1c(C)c2c(c(C)c1N)CC(C)(CN1CC=C(c3c(-c4ccccc4)[nH]c4ccccc34)CC1)O2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
HTR6 P50406 3/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PARP1 P09874 4/20 0.33
DRD4 P21917 2/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
ALOX15 P16050 1/20 0.32

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
SCHEMBL6986305 0.82 KDM4E (0.53) LMNAKDM4EHTR6HTR2ADRD2
SCHEMBL3936672 0.77 HTR1A (0.46) KDM4EMEN1KMT2A
SCHEMBL6985174 0.77 HTR6 (0.39) HTR6HPGDDRD2
Oxalic Acid SCHEMBL8311341 0.76 HTR2A (0.46) HTR2AHTR2CDRD2
SCHEMBL6981092 0.73 DRD3 (0.34) LMNAMAPTHTR2CMEN1KMT2A
Hydrochloric Acid SCHEMBL6982794 0.72 KMT2A (0.35) LMNAMAPTHTR2CMEN1KMT2A
SCHEMBL6984897 0.71 DRD3 (0.38) KDM4EMAPTHTR2AMEN1KMT2A
SCHEMBL6985365 0.69 LMNA (0.42) LMNAHPGDSMN1; SMN2DRD4
SCHEMBL6983488 0.69 DRD2 (0.41) LMNAKDM4EMAPTHTR2CMEN1
Hydrochloric Acid SCHEMBL6979044 0.69 LMNA (0.41) LMNAMAPTMEN1HPGDKMT2A

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-0923575-A1 CYCLIC ETHER COMPOUNDS AS SODIUM CHANNEL MODULATORS Takeda Chemical Industries, Ltd. (JP) 1999-06-23 EP disclosed
WO-1998008842-A1 CYCLIC ETHER COMPOUNDS AS SODIUM CHANNEL MODULATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-05 WO disclosed