SCHEMBL18645653

SCHEMBL18645653

O=C(NC1CCCCC1)c1cn(Cc2ccnc(Cl)c2)c2c(F)ccc(F)c12

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 11/20 0.79
CNR1 P21554 5/20 0.46
CNR2 P34972 5/20 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
SCHEMBL21362279 0.91 CHRM1 (0.78) CHRM1CNR1CNR2
SCHEMBL18645650 0.88 CHRM1 (1.00) CHRM1
SCHEMBL20979769 0.88 CHRM1 (1.00) CHRM1
SCHEMBL18644820 0.87 CHRM1 (0.80) CHRM1CNR1CNR2
SCHEMBL18646268 0.86 CHRM1 (0.62) CHRM1CNR1CNR2
SCHEMBL20481684 0.82 CHRM1 (1.00) CHRM1
SCHEMBL18614830 0.82 CHRM1 (1.00) CHRM1
SCHEMBL18614834 0.82 CHRM1 (1.00) CHRM1
Hydrochloric Acid SCHEMBL20481661 0.81 CHRM1 (0.98) CHRM1
Hydrochloric Acid SCHEMBL18614833 0.81 CHRM1 (0.98) CHRM1

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-3347349-B1 FLUOROINDOLE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LTD (IN) 2019-09-18 EP disclosed
WO-2017042643-A1 FLUOROINDOLE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LIMITED (IN) 2017-03-16 WO disclosed