SCHEMBL20745376

SCHEMBL20745376

OCC1CC(F)CN1Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 1/20 0.46
MAPT P10636 1/20 0.45
SIGMAR1 Q99720 2/20 0.45
GBA1 P04062 2/20 0.43
SPHK2 Q9NRA0 2/20 0.40
SPHK1 Q9NYA1 2/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL16765922 1.00 HDAC11 (0.46) HDAC11MAPTSIGMAR1GBA1SPHK2
SCHEMBL20745637 0.84 MAPT (0.42) MAPT
SCHEMBL20745635 0.84 MAPT (0.42) MAPT
Ammonia Solution, Strong SCHEMBL27989210 0.84 CA1 (0.43)
SCHEMBL20734689 0.83 SIGMAR1 (0.55) MAPTSIGMAR1GBA1SPHK2SPHK1
SCHEMBL6942852 0.82 MAPT (0.50) HDAC11MAPTSIGMAR1GBA1
SCHEMBL5371008 0.82 MAPT (0.50) HDAC11MAPTSIGMAR1GBA1
SCHEMBL10130060 0.82 MAPT (0.50) HDAC11MAPTSIGMAR1GBA1
SCHEMBL15325592 0.82 MAPT (0.50) HDAC11MAPTSIGMAR1GBA1
SCHEMBL24938856 0.81 MAPT (0.53) HDAC11MAPTSIGMAR1GBA1

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-3668863-A1 TRICYCLIC COMPOUNDS AS HISTONE METHYL-TRANSFERASE INHIBITORS Global Blood Therapeutics, Inc. (US) 2020-06-24 EP disclosed
WO-2019036377-A1 TRICYCLIC COMPOUNDS AS HISTONE METHYL-TRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2019-02-21 WO disclosed