SCHEMBL22212651

SCHEMBL22212651

COc1ccc(Cc2cc(C(=O)NC3CCCOC3)nc3c2OCCN3C)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.46
▸ PDE3B Q13370 2/20 0.41
▸ PDE3A Q14432 2/20 0.41
▸ HPGDS O60760 1/20 0.40
▸ SCN9A Q15858 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CHRM1 P11229 2/20 0.39
▸ CHRNB2 P17787 2/20 0.39
▸ CHRNA4 P43681 2/20 0.39
▸ CXCR4 P61073 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ MCHR1 Q99705 2/20 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
SCHEMBL19932716 1.00 KMT2A (0.46) KMT2APDE3BPDE3AHPGDSSCN9A
SCHEMBL19932685 0.92 NPC1 (0.46) KMT2ANPC1RAB9ACHRM1CHRNB2
SCHEMBL22212630 0.90 CHRM1 (0.40) CHRM1CNR2
SCHEMBL19932683 0.90 CHRM1 (0.48) KMT2AHPGDSNPC1RAB9ACHRM1
SCHEMBL21545712 0.86 CHRM1 (0.44) KMT2ACHRM1
SCHEMBL21545762 0.86 CHRM1 (0.51) KMT2ACHRM1
SCHEMBL21545811 0.86 CHRM1 (0.51) KMT2ACHRM1
SCHEMBL21562949 0.86 CHRM1 (0.51) KMT2ACHRM1
SCHEMBL21545743 0.86 CHRM1 (0.44) KMT2ACHRM1
SCHEMBL19925647 0.86 CHRM1 (0.51) KMT2ACHRM1

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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