SCHEMBL22790758

SCHEMBL22790758

CCN1CCC(CN(C)Cc2ccc(N3CCN(C(C)C)CC3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ HRH3 Q9Y5N1 9/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ RAD52 P43351 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CHRNA7 P36544 1/20 0.38
▸ HTR1D P28221 1/20 0.36
▸ HTR1B P28222 1/20 0.36
▸ RORC P51449 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
SCHEMBL25108481 0.95 HRH3 (0.45) KDM4EMAPTALDH1A1PKMHRH3
SCHEMBL25468371 0.93 HRH3 (0.47) KDM4EMAPTALDH1A1PKMHRH3
SCHEMBL25111065 0.91 MAPT (0.41) KDM4EMAPTALDH1A1PKMHRH3
SCHEMBL25111066 0.88 CHKA (0.46) KDM4EMAPTALDH1A1KMT2AGAA
SCHEMBL25110787 0.87 HRH3 (0.43) KDM4EMAPTALDH1A1PKMHRH3
SCHEMBL25481181 0.86 HRH3 (0.44) KDM4EMAPTALDH1A1PKMHRH3
SCHEMBL25481321 0.83 RORC (0.35) MAPTHRH3KMT2AHTR1DHTR1B
SCHEMBL22802982 0.81 RORC (0.43) HTR1DHTR1BRORC
SCHEMBL25108483 0.79 CHKA (0.50) KDM4EMAPTALDH1A1KMT2AGAA
SCHEMBL25108491 0.79 CHKA (0.40) KMT2AGAAHTR1DHTR1BRORC

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
WO-2022125804-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2022-06-16 — — WO disclosed
WO-2020251971-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-17 — — WO disclosed
WO-2020251972-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-17 — — WO disclosed
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