SCHEMBL7436185

SCHEMBL7436185

O=C(c1ccccc1)N1CC2CCC1CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.45
CHRNB2 P17787 2/20 0.45
CHRNB4 P30926 2/20 0.45
CHRNA3 P32297 2/20 0.45
CHRNA7 P36544 2/20 0.45
CHRNA4 P43681 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
L3MBTL3 Q96JM7 1/20 0.45
ACHE P22303 1/20 0.45
ABCB1 P08183 1/20 0.44
KDM4E B2RXH2 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
EPHX1 P07099 1/20 0.41
TSHR P16473 1/20 0.41
RECQL P46063 1/20 0.41
MGLL Q99685 1/20 0.41

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
SCHEMBL11775645 0.78 PIK3CD (0.46) PIK3CDCHRNA7L3MBTL1L3MBTL3ACHE
SCHEMBL7438957 0.77 ALDH1A1 (0.47) PIK3CDCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL11777276 0.77 CHRNB2 (0.46) PIK3CDCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL7438099 0.76 ABCB1 (0.43) PIK3CDCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL10635857 0.76 PIK3CD (0.47) PIK3CDCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL4030570 0.74 CHRNA7 (0.60) CHRNA3CHRNA7L3MBTL1L3MBTL3ACHE
SCHEMBL27348973 0.73 PIK3CD (0.50) PIK3CDCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL252505 0.73 ACHE (0.55) PIK3CDCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL24746302 0.72 RAB9A (0.36) KMT2AMGLL
SCHEMBL10032955 0.72 SOST (0.34) CHRNA7L3MBTL1L3MBTL3KMT2AALDH1A1

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
US-5240935-A Central nervous system disorders STERLING WINTHROP INC. (US) 1993-08-31 US disclosed