SCHEMBL21617954

SCHEMBL21617954

O=C1CC2(CNC2)Oc2cccnc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.46
EPHX2 P34913 1/20 0.46
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
NPC1 O15118 1/20 0.35
TDP2 O95551 1/20 0.33
NSD2 O96028 1/20 0.33
ABL1 P00519 1/20 0.33

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
Hydrochloric Acid SCHEMBL23928889 0.98 ACACB (0.45) ACACBEPHX2HDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL30587434 0.98 ACACB (0.45) ACACBEPHX2HDAC3HDAC4HDAC1
SCHEMBL13339752 0.85 ACACB (0.49) ACACBEPHX2HDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL3493117 0.84 ACACB (0.48) ACACBEPHX2HDAC3HDAC4HDAC1
SCHEMBL15469500 0.83 EPHX2 (0.52) ACACBEPHX2ADRA1DADRA1AADRA1B
SCHEMBL1115206 0.81 EPHX2 (0.50) ACACBEPHX2ADRA1DADRA1AADRA1B
SCHEMBL7299024 0.76 ALDH1A1 (0.43) ACACBEPHX2NPC1TDP2NSD2
SCHEMBL23928898 0.76 EPHX2 (0.54) ACACBEPHX2HDAC3HDAC4HDAC1
SCHEMBL14919198 0.75 EPHX2 (0.64) ACACBEPHX2HDAC3HDAC4HDAC1
SCHEMBL23957116 0.74 ATM (0.55) EPHX2HDAC3HDAC4HDAC1HDAC7

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-3820869-B1 SPIROCHROMANE DERIVATIVES RICHTER GEDEON NYRT (HU) 2023-08-30 EP claimed
EP-3820869-A1 SPIROCHROMANE DERIVATIVES Richter Gedeon Nyrt. (HU) 2021-05-19 EP claimed
CN-112823157-A Spirochroman derivatives 吉瑞工厂 2021-05-18 CN claimed
WO-2020012422-A1 SPIROCHROMANE DERIVATIVES RICHTER GEDEON NYRT. (HU) 2020-01-16 WO claimed
EP-3820869-B1 SPIROCHROMANE DERIVATIVES RICHTER GEDEON NYRT (HU) 2023-08-30 EP disclosed