SCHEMBL21906525

SCHEMBL21906525

CNC(=O)C1CN(Cc2cnc(Oc3ccc(C)cc3)cn2)CCO1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RXRB P28702 16/20 1.00
GRIN2B Q13224 4/20 0.70

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
SCHEMBL21906517 1.00 RXRB (1.00) RXRBGRIN2B
SCHEMBL21906518 0.92 RXRB (1.00) RXRBGRIN2B
SCHEMBL21906536 0.92 RXRB (1.00) RXRBGRIN2B
SCHEMBL24892989 0.92 RXRB (1.00) RXRBGRIN2B
SCHEMBL21906523 0.92 RXRB (1.00) RXRBGRIN2B
SCHEMBL21906529 0.91 RXRB (1.00) RXRBGRIN2B
SCHEMBL21906522 0.87 RXRB (1.00) RXRBGRIN2B
SCHEMBL21906521 0.87 RXRB (1.00) RXRBGRIN2B
SCHEMBL21902096 0.87 GRIN2B (0.79) RXRBGRIN2B
SCHEMBL21906510 0.86 RXRB (1.00) RXRBGRIN2B

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-3867244-B1 4-PYRAZIN-2-YLMETHYL-MORPHOLINE DERIVATIVES AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM INT (DE) 2023-01-18 EP disclosed
WO-2020079039-A1 4-PYRAZIN-2-YLMETHYL-MORPHOLINE DERIVATIVES AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-04-23 WO disclosed