SCHEMBL22212626

SCHEMBL22212626

Cn1cc(Cc2cc(C(=O)NC3CCCCC3)nc3c2OCCO3)cn1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 4/20 0.44
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ TSHR P16473 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ PIK3CD O00329 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
SCHEMBL19932682 0.89 CHRM1 (0.57) CHRM1PIK3CD
SCHEMBL19932709 0.88 CHRM1 (0.50) CHRM1
SCHEMBL19932652 0.82 CHRM1 (0.42) CHRM1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL22212621 0.82 NPC1 (0.48) NPC1RAB9A
SCHEMBL22212650 0.81 NPC1 (0.49) NPC1RAB9ASMN1; SMN2TSHRALDH1A1
SCHEMBL19932650 0.80 CHRM1 (0.41) CHRM1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL22212675 0.80 CHRM1 (0.42) CHRM1NPC1RAB9AALDH1A1POLB
SCHEMBL22212622 0.79 CHRM1 (0.52) CHRM1
SCHEMBL19932651 0.79 PARP1 (0.42) NPC1RAB9ASMN1; SMN2TSHRALDH1A1
SCHEMBL19932681 0.79 CHRM1 (0.64) 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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