SCHEMBL23540951

SCHEMBL23540951

OCC(O)CC1CN(Cc2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.51
GBA1 P04062 1/20 0.48
GRIN2B Q13224 1/20 0.46
S1PR1 P21453 1/20 0.45
S1PR5 Q9H228 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
CYP2D6 P10635 1/20 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
SCHEMBL23540949 1.00 FUCA1 (0.51) FUCA1GBA1GRIN2BS1PR1S1PR5
SCHEMBL3582865 0.81 FUCA1 (0.63) FUCA1GBA1S1PR1S1PR5SIGMAR1
SCHEMBL24317322 0.78 FUCA1 (0.51) FUCA1GRIN2BS1PR1S1PR5SIGMAR1
SCHEMBL63432 0.76 FUCA1 (0.58) FUCA1GBA1S1PR1S1PR5SIGMAR1
SCHEMBL51716 0.76 FUCA1 (0.58) FUCA1GBA1S1PR1S1PR5SIGMAR1
SCHEMBL25485375 0.76 ALDH1A1 (0.46) GRIN2B
SCHEMBL6621477 0.74 GRIN2B (0.52) FUCA1GBA1GRIN2BS1PR1S1PR5
SCHEMBL5640368 0.74 CYP2D6 (0.65) FUCA1GBA1GRIN2BSIGMAR1CYP2D6
SCHEMBL10642802 0.74 FUCA1 (0.65) FUCA1GBA1GRIN2BS1PR1S1PR5
SCHEMBL29201748 0.73 KDM4E (0.66) SIGMAR1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4217071-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES Erasca, Inc. (US) 2023-08-02 EP disclosed
EP-4076667-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES Erasca, Inc. (US) 2022-10-26 EP disclosed
WO-2022066805-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. (US) 2022-03-31 WO disclosed
WO-2021127404-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. (US) 2021-06-24 WO disclosed