SCHEMBL21938331

SCHEMBL21938331

CCOC(=O)c1cc(Cc2ccc(B3O[C@@H](C)C(C)(C)O3)cc2)c2cccn2n1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 14/20 0.40
SPR P35270 2/20 0.36
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADORA3 P0DMS8 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
SCHEMBL21858992 0.78 CHRM1 (0.53) CHRM1SPRSMN1; SMN2
SCHEMBL22322792 0.78 CHRM1 (0.48) CHRM1SPRTP53MAPT
SCHEMBL25348205 0.72 SPR (0.49) SPRTP53MAPTSMN1; SMN2ADORA3
SCHEMBL21859079 0.72 CHRM1 (0.64) CHRM1SPR
SCHEMBL21938332 0.71 CHRM1 (0.61) CHRM1SPR
SCHEMBL25348758 0.69 SPR (0.44) SPRTP53MAPTSMN1; SMN2ADORA3
SCHEMBL30540553 0.67 SPR (0.48) SPRTP53MAPTSMN1; SMN2ADORA3
SCHEMBL24845746 0.67 LPL (0.44)
SCHEMBL1601462 0.66 CYP2C19 (0.48) TP53MAPTSMN1; SMN2
SCHEMBL24845743 0.66 ALDH1A1 (0.43)

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
WO-2020079606-A9 PYRROLO-PYRIDAZINE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LIMITED (IN) 2020-08-13 WO disclosed
WO-2020079606-A1 PYRROLO-PYRIDAZINE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LIMITED (IN) 2020-04-23 WO disclosed