SCHEMBL21417469

SCHEMBL21417469

Cc1nc2ccc(C(=O)NC(C3CCCC3)C3(N)CC3)cc2s1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 2/20 0.51
▸ RAB9A P51151 11/20 0.50
▸ NPC1 O15118 10/20 0.50
▸ LMNA P02545 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ HPGD P15428 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPT P10636 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ HTT P42858 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ PKM P14618 1/20 0.43

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
SCHEMBL21417242 0.79 CHRNA7 (0.47) CHRNA7RAB9ANPC1LMNASMN1; SMN2
SCHEMBL21417045 0.77 CHRNA7 (0.47) CHRNA7RAB9ANPC1LMNAMEN1
SCHEMBL21417227 0.74 MAOB (0.59) CHRNA7RAB9ANPC1LMNAMEN1
SCHEMBL21417095 0.73 EPHX1 (0.47) CHRNA7NPC1LMNAMEN1KMT2A
SCHEMBL8566294 0.72 RAB9A (0.68) CHRNA7RAB9ANPC1LMNAMEN1
SCHEMBL21417331 0.71 CHRNA7 (0.52) CHRNA7
SCHEMBL21417098 0.70 CHRNA7 (0.51) CHRNA7RAB9ANPC1
SCHEMBL22850429 0.70 RAB9A (0.65) CHRNA7RAB9ANPC1LMNAMEN1
SCHEMBL20661376 0.69 CHRNA7 (0.50) CHRNA7RAB9ANPC1LMNAMEN1
SCHEMBL21417038 0.69 CHRNA7 (0.50) CHRNA7

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-3233087-B1 GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTORS AXOVANT SCIENCES GMBH (DE) 2019-10-02 — — EP disclosed
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