SCHEMBL24717149

SCHEMBL24717149

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
CNR2 P34972 1/20 0.43
CREBBP Q92793 4/20 0.38
EP300 Q09472 2/20 0.38
CCR1 P32246 1/20 0.38
CCR2 P41597 1/20 0.38
P2RX7 Q99572 5/20 0.37
BPTF Q12830 1/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC8 Q9BY41 3/20 0.37
HDAC6 Q9UBN7 3/20 0.37
HDAC5 Q9UQL6 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
SCHEMBL22134171 0.92 TSHR (0.45) TSHRCNR2P2RX7BPTFHDAC1
SCHEMBL20093855 0.92 TSHR (0.45) TSHRCNR2P2RX7BPTFHDAC1
SCHEMBL24717146 0.83 TSHR (0.40) TSHRCNR2CREBBPEP300CCR1
SCHEMBL24717148 0.83 TSHR (0.40) TSHRCNR2CREBBPEP300CCR1
SCHEMBL24415608 0.78 SLC6A2 (0.41) TSHRCREBBPEP300CCR1CCR2
SCHEMBL9106744 0.78 TSHR (0.52) TSHRCNR2P2RX7BPTFHDAC1
SCHEMBL9106736 0.78 TSHR (0.52) TSHRCNR2P2RX7BPTFHDAC1
SCHEMBL24416847 0.75 BPTF (0.40) TSHRCNR2CREBBPEP300CCR1
SCHEMBL24415451 0.75 CREBBP (0.38) TSHRCNR2CREBBPEP300CCR1
SCHEMBL24717306 0.75 BPTF (0.40) TSHRCNR2CREBBPEP300CCR1

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