SCHEMBL24005504

SCHEMBL24005504

CC(=O)N1CCN(C)C(c2ccccc2C(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.41
KMT2A Q03164 4/20 0.38
TACR1 P25103 1/20 0.36
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
CHRM1 P11229 1/20 0.36
NOTUM Q6P988 3/20 0.35
ALOX15 P16050 1/20 0.35
POLB P06746 1/20 0.35
HSP90AA1 P07900 1/20 0.34
ITGB2 P05107 2/20 0.34
ICAM1 P05362 2/20 0.34
ITGAL P20701 2/20 0.34

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
SCHEMBL25478789 0.87 P2RX7 (0.40) P2RX7KMT2AMEN1ALDH1A1CYP3A4
SCHEMBL24005484 0.86 P2RX7 (0.39) P2RX7KMT2AMEN1CYP3A4CYP2C9
SCHEMBL25478787 0.85 KMT2A (0.38) KMT2ATACR1MEN1ALDH1A1LMNA
SCHEMBL25613551 0.83 ITGB2 (0.37) KMT2ATACR1MEN1ALDH1A1LMNA
SCHEMBL24005489 0.81 P2RX7 (0.43) P2RX7KMT2AMEN1ALDH1A1LMNA
SCHEMBL25479247 0.80 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1LMNAHPGD
SCHEMBL24005860 0.80 HTR2A (0.42) KMT2AMEN1ALDH1A1LMNACYP1A2
SCHEMBL25480477 0.77 HRH3 (0.33)
SCHEMBL24333460 0.77 P2RX7 (0.64) P2RX7KMT2AMEN1ALDH1A1POLB
SCHEMBL24333207 0.77 P2RX7 (0.64) P2RX7KMT2AMEN1ALDH1A1POLB

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
WO-2023088167-A1 COMPOUNDS AS BCL-2 INHIBITORS FOCHON PHARMACEUTICALS, LTD. (CN) 2023-05-25 WO disclosed
WO-2021223736-A1 COMPOUNDS AS BCL-2 INHIBITORS FOCHON PHARMACEUTICALS, LTD. (CN) 2021-11-11 WO disclosed