SCHEMBL22212614

SCHEMBL22212614

CN1CCc2c(Cc3ccc(-c4ccc(F)nc4)nc3)cc(C(=O)NC3CCCCC3)nc21

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 6/20 0.46
▸ CNR2 P34972 3/20 0.40
▸ CNR1 P21554 2/20 0.40
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ C3AR1 Q16581 1/20 0.37
▸ ABHD6 Q9BV23 1/20 0.37
▸ ACKR3 P25106 1/20 0.37

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
SCHEMBL22212678 0.94 CHRM1 (0.41) CHRM1CNR2CNR1C3AR1ABHD6
SCHEMBL19932707 0.90 CHRM1 (0.53) CHRM1
SCHEMBL22212637 0.85 CHRM1 (0.41) CHRM1CNR2CNR1NPC1RAB9A
SCHEMBL22212648 0.84 CNR2 (0.48) CNR2CNR1NPC1RAB9AABHD6
SCHEMBL19932667 0.84 CHRM1 (0.52) CHRM1
SCHEMBL22212676 0.83 PARP1 (0.44) CNR2CNR1ACKR3
SCHEMBL22212604 0.82 CHRM1 (0.67) CHRM1
SCHEMBL6891544 0.80 CHRM1 (0.47) CHRM1CNR2CNR1
SCHEMBL22212643 0.79 EPHX2 (0.47) CNR2CNR1NPC1RAB9AABHD6
SCHEMBL22212633 0.75 CHRM1 (0.62) 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 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
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