SCHEMBL19932607

SCHEMBL19932607

CN1CCOc2c(Cc3ccc(F)cc3)cc(C(=O)NC3CCCCC3)nc21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 9/20 0.46
▸ CNR1 P21554 8/20 0.46
▸ DPP4 P27487 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ ABHD12 Q8N2K0 2/20 0.43
▸ PRKAA2 P54646 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ FAAH O00519 2/20 0.41
▸ ACKR3 P25106 1/20 0.41
▸ ABHD6 Q9BV23 1/20 0.41

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
SCHEMBL22212630 0.91 CHRM1 (0.40) CNR2CNR1DPP4PRKAA2CHRM1
SCHEMBL22212669 0.91 IDH1 (0.39) NPC1RAB9APRKAA2ACKR3
SCHEMBL19932685 0.90 NPC1 (0.46) CNR2CNR1NPC1RAB9ACHRM1
SCHEMBL19932606 0.89 CHRM1 (0.49) CHRM1
SCHEMBL19932678 0.88 PARP1 (0.39) CNR2CNR1NPC1RAB9AABHD12
SCHEMBL19932715 0.87 CHRM1 (0.43) CNR2CNR1NPC1RAB9ACHRM1
SCHEMBL19932588 0.87 CHRM1 (0.51) CHRM1
SCHEMBL19932680 0.87 CHRM1 (0.54) CNR2CNR1CHRM1
SCHEMBL19932684 0.86 CHRM1 (0.42) CNR1NPC1RAB9ACHRM1ACKR3
SCHEMBL22212648 0.84 CNR2 (0.48) CNR2CNR1DPP4NPC1RAB9A

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-3507289-B1 MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LTD (IN) 2020-07-15 — — EP disclosed
WO-2018042362-A1 MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LIMITED (IN) 2018-03-08 — — WO disclosed
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