SCHEMBL22212653

SCHEMBL22212653

O=C(NC1CCCCC1)c1cc(Cc2ccnc(F)c2)c2c(n1)CNCC2

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 4/20 0.46
▸ CNR1 P21554 7/20 0.39
▸ CNR2 P34972 7/20 0.39
▸ BRD4 O60885 2/20 0.38
▸ ABHD12 Q8N2K0 1/20 0.37
▸ CD38 P28907 2/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMYD3 Q9H7B4 1/20 0.35

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
SCHEMBL19932700 0.89 CHRM1 (0.46) —
Hydrochloric Acid SCHEMBL21545700 0.88 CHRM1 (0.45) —
SCHEMBL22212615 0.88 PARP1 (0.40) PARP1CNR1CNR2ABHD12NPC1
SCHEMBL22212656 0.88 PARP1 (0.42) PARP1CNR1CNR2BRD4NPC1
SCHEMBL19932638 0.87 CNR2 (0.46) PARP1CNR1CNR2ABHD12NPC1
SCHEMBL22212609 0.84 ALDH1A1 (0.46) PARP1CNR1CNR2BRD4NPC1
SCHEMBL22212636 0.81 EPHX2 (0.46) CNR1CNR2NPC1RAB9A
SCHEMBL22212644 0.79 CHRM1 (0.50) PARP1
SCHEMBL22212676 0.79 PARP1 (0.44) PARP1CNR1CNR2ABHD12CD38
SCHEMBL22212640 0.77 CHRM1 (0.51) PARP1CNR1CNR2

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-3507289-B1 MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LTD (IN) 2020-07-15 — — EP disclosed
Send feedback