SCHEMBL21274597

SCHEMBL21274597

CC1(C)CB(C2=CCN(C(=O)O)CC2)CC1(C)C

nearest known ligand 0.30

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL378063 0.77 P2RX7 (0.46)
SCHEMBL4007003 0.75
SCHEMBL27972050 0.74 P2RX7 (0.34)
SCHEMBL986716 0.69 P2RX7 (0.51)
SCHEMBL29756950 0.68 P2RX7 (0.38)
SCHEMBL28854750 0.66 ADAM10 (0.33)
SCHEMBL23089828 0.66 L3MBTL1 (0.31) KCNH2HRH3MEN1KMT2ANPC1
SCHEMBL28275844 0.65 TSHR (0.39) MEN1KMT2ANPC1ALDH1A1ALOX15
SCHEMBL17397640 0.65 MEN1 (0.39) KCNH2HRH3MEN1KMT2ANPC1
SCHEMBL21840081 0.65 ALDH1A1 (0.36) KCNH2HRH3MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3752503-A1 INHIBITORS OF TRPC6 Boehringer Ingelheim International GmbH (DE) 2020-12-23 EP disclosed
WO-2019161010-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-08-22 WO disclosed