SCHEMBL21362319

SCHEMBL21362319

O=C(NC1CCCCC1)c1cn(Cc2ccc3ncsc3c2)c2cccc(F)c12

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 16/20 0.81
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
SMYD3 Q9H7B4 1/20 0.46

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
SCHEMBL20481901 0.90 CHRM1 (1.00) CHRM1
SCHEMBL18614803 0.84 CHRM1 (1.00) CHRM1
SCHEMBL20481648 0.84 CHRM1 (1.00) CHRM1
SCHEMBL18614805 0.84 CHRM1 (1.00) CHRM1
Hydrochloric Acid SCHEMBL18614826 0.83 CHRM1 (0.98) CHRM1
Hydrochloric Acid SCHEMBL18614828 0.83 CHRM1 (0.98) CHRM1
Hydrochloric Acid SCHEMBL20481720 0.83 CHRM1 (0.98) CHRM1
SCHEMBL21362311 0.83 CHRM1 (0.79) CHRM1CNR1CNR2
SCHEMBL18644820 0.81 CHRM1 (0.80) CHRM1CNR1CNR2
SCHEMBL21362305 0.80 CHRM1 (0.63) CHRM1CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3347349-B1 FLUOROINDOLE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LTD (IN) 2019-09-18 EP disclosed