SCHEMBL8725147

SCHEMBL8725147

CCNC1CCN(c2ccc(C)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.46
ACHE P22303 1/20 0.42
BACE1 P56817 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
GAA P10253 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
MAPT P10636 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
AKT1 P31749 1/20 0.39
GLA P06280 1/20 0.39
KDM4E B2RXH2 2/20 0.39
RAD52 P43351 1/20 0.39
GFER P55789 1/20 0.39

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
SCHEMBL13380458 0.86 MAPT (0.54) L3MBTL1GAANPC1RAB9AHSP90AA1
SCHEMBL22837858 0.85 HSP90AA1 (0.40) ADRB1L3MBTL1GAAHSP90AA1HSP90AB1
SCHEMBL5537556 0.85 ME3 (0.52) ACHEBACE1GAAHSP90AA1HSP90AB1
SCHEMBL8725144 0.85 HSP90AA1 (0.40) L3MBTL1GAAHSP90AA1HSP90AB1MAPT
SCHEMBL5537549 0.85 SMN1; SMN2 (0.42) L3MBTL1GAANPC1RAB9AHSP90AA1
SCHEMBL13798544 0.84 CHRNA7 (0.50) ACHEBACE1L3MBTL1HSP90AA1HSP90AB1
SCHEMBL5535481 0.83 HSP90AA1 (0.41) L3MBTL1GAAHSP90AA1HSP90AB1MAPT
Benzene SCHEMBL27474247 0.82 ME3 (0.57) ACHEBACE1GAAHSP90AA1HSP90AB1
SCHEMBL8729299 0.82 SMN1; SMN2 (0.40) L3MBTL1GAANPC1RAB9AHSP90AA1
SCHEMBL803329 0.81 ITGB3 (0.49) HSP90AA1HSP90AB1AKT1DHFR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0624584-B1 Piperazine derivatives useful as calmodulin inhibitors DAIICHI SEIYAKU CO (JP) 1998-08-19 EP disclosed
US-5681954-A HAS CALMODULIN INHIBITORY ACTIVITY; USEFUL IN TREATING DISEASES OF THE CIRCULATORY ORGANS OR IN CEREBRAL REGION DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-10-28 US disclosed
EP-0624584-A1 Piperazine derivatives useful as calmodolin inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1994-11-17 EP disclosed