SCHEMBL29619918

SCHEMBL29619918

O=C(Cc1ccc2ncccc2c1)N1CCC(n2cnc3cccc(C(F)(F)F)c32)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 5/20 0.44
▸ TRPV1 Q8NER1 1/20 0.40
▸ ECE2 P0DPD6 1/20 0.40
▸ RBP4 P02753 2/20 0.39
▸ RORC P51449 1/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ ORAI1 Q96D31 1/20 0.38
▸ SCD O00767 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CCNE1 P24864 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CDK5 Q00535 1/20 0.37
▸ JAK1 P23458 1/20 0.36
▸ LMNA P02545 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
SCHEMBL30317048 0.91 RORC (0.40) CCR3TRPV1ECE2RBP4RORC
SCHEMBL22587931 0.91 RORC (0.40) CCR3TRPV1ECE2RBP4RORC
SCHEMBL22605545 0.85 CCR3 (0.43) CCR3TRPV1ECE2RBP4RORC
SCHEMBL31285877 0.85 CCR3 (0.43) CCR3TRPV1ECE2RBP4RORC
SCHEMBL30317063 0.84 POLB (0.43) CCR3POLBMEN1KMT2AJAK1
SCHEMBL22605644 0.82 PLD2 (0.45) CCR3TRPV1RBP4RORCLMNA
SCHEMBL29518321 0.82 PLD2 (0.45) CCR3TRPV1RBP4RORCLMNA
SCHEMBL30317255 0.81 CCR3 (0.44) CCR3TRPV1ECE2RBP4RORC
SCHEMBL22588684 0.79 PLD2 (0.43) CCR3TRPV1ECE2RBP4RORC
SCHEMBL31285924 0.79 PLD2 (0.43) CCR3TRPV1ECE2RBP4RORC

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-2022083731-A1 FUSED RING-CONTAINING COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME 健艾仕生物医药有限公司 2022-04-28 — — WO disclosed
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