SCHEMBL22802982

SCHEMBL22802982

CC(C)CN1CCC(CN(C)Cc2ccc(N3CCN(C)CC3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 6/20 0.43
▸ CHKA P35790 2/20 0.42
▸ NCF1 P14598 1/20 0.40
▸ LSS P48449 3/20 0.38
▸ HTR1D P28221 2/20 0.38
▸ HTR1B P28222 2/20 0.38
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL25111065 0.91 MAPT (0.41) RORCHTR1DHTR1B
SCHEMBL25108491 0.88 CHKA (0.40) RORCCHKANCF1LSSHTR1D
SCHEMBL25481321 0.88 RORC (0.35) RORCHTR1DHTR1B
SCHEMBL25111066 0.88 CHKA (0.46) RORCCHKANCF1LSSHTR1D
SCHEMBL25108483 0.87 CHKA (0.50) RORCCHKANCF1LSSHDAC1
SCHEMBL25110795 0.84 RORC (0.44) RORCCHKANCF1LSSHTR1D
SCHEMBL22794600 0.84 SLC6A2 (0.39) LSS
SCHEMBL25108882 0.83 MAOB (0.44) LSSHDAC1
SCHEMBL22790758 0.81 KDM4E (0.43) RORCHTR1DHTR1B
SCHEMBL25468371 0.80 HRH3 (0.47) RORCCHKALSS

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
WO-2020251969-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-17 — — WO disclosed
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