SCHEMBL11010385

SCHEMBL11010385

CCC[C@H]1CC[C@H](Cc2ccc(-c3ccccc3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.44
KCNH2 Q12809 1/20 0.44
CCR3 P51677 2/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
PRMT6 Q96LA8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CCR5 P51681 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 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
SCHEMBL11010383 1.00 GBA1 (0.44) GBA1KCNH2CCR3MEN1RAB9A
SCHEMBL11006285 0.93 HRH3 (0.39) GBA1KCNH2MEN1KMT2AHRH3
SCHEMBL11006291 0.93 HRH3 (0.39) GBA1KCNH2MEN1KMT2AHRH3
SCHEMBL28594519 0.87 GBA1 (0.55) GBA1CCR3MEN1RAB9AKMT2A
SCHEMBL10385271 0.86 HRH3 (0.46) PRMT6HRH3
SCHEMBL10385270 0.86 HRH3 (0.46) PRMT6HRH3
SCHEMBL9346730 0.84 GBA1 (0.50) GBA1KCNH2CCR3MEN1KMT2A
SCHEMBL7513470 0.84 GBA1 (0.50) GBA1KCNH2CCR3MEN1KMT2A
SCHEMBL11010515 0.84 GBA1 (0.50) GBA1KCNH2CCR3PRMT6HRH3
SCHEMBL9346744 0.84 GBA1 (0.50) GBA1KCNH2CCR3MEN1KMT2A

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-0131837-A1 Liquid crystalline compounds MERCK PATENT GmbH (DE) 1985-01-23 EP disclosed