SCHEMBL24717306

SCHEMBL24717306

CC[C@@H]1CCCC(=O)N1c1ccc(F)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.40
HDAC1 Q13547 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
CREBBP Q92793 7/20 0.38
P2RX7 Q99572 1/20 0.37
TSHR P16473 1/20 0.37
EP300 Q09472 4/20 0.37
BRD4 O60885 2/20 0.37
BRD2 P25440 1/20 0.37
BRD3 Q15059 1/20 0.37
BRDT Q58F21 1/20 0.37
BRD9 Q9H8M2 1/20 0.37
CCR1 P32246 1/20 0.36
CCR2 P41597 1/20 0.36
PER2 O15055 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
CNR1 P21554 2/20 0.34
CNR2 P34972 1/20 0.34
HTR1A P08908 1/20 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
SCHEMBL24416847 1.00 BPTF (0.40) BPTFHDAC1HDAC8HDAC6CREBBP
SCHEMBL24415452 0.86 LMNA (0.43) TSHR
SCHEMBL24415608 0.81 SLC6A2 (0.41) BPTFCREBBPTSHREP300BRD4
SCHEMBL24415451 0.78 CREBBP (0.38) BPTFHDAC1HDAC8HDAC6CREBBP
SCHEMBL24717149 0.75 TSHR (0.43) BPTFHDAC1HDAC8HDAC6CREBBP
SCHEMBL9893023 0.75 PER2 (0.46) TSHRPER2CNR2
SCHEMBL9892990 0.75 ABL1 (0.44) BPTFHDAC1HDAC8HDAC6TSHR
SCHEMBL24717148 0.75 TSHR (0.40) BPTFHDAC1HDAC8HDAC6CREBBP
SCHEMBL24717146 0.72 TSHR (0.40) BPTFHDAC1HDAC8HDAC6CREBBP
SCHEMBL24717003 0.71 HDAC1 (0.40) BPTFHDAC1HDAC8HDAC6TSHR

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-2022257894-A1 P300 INHIBITOR AND PHARMACEUTICAL USE THEREOF 贝达药业股份有限公司 2022-12-15 WO disclosed