SCHEMBL29965646

SCHEMBL29965646

O=C(C1CC2CCC1CC2)N1C[C@@H]2CC[C@@H](Nc3ccc(Br)nn3)[C@@H]2C1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.35
GRM5 P41594 7/20 0.34
HSD11B1 P28845 1/20 0.32
LMNA P02545 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL26983458 0.84
SCHEMBL29964673 0.78 USP30 (0.44) NPC1RAB9A
SCHEMBL30762023 0.78 USP30 (0.44) NPC1RAB9A
SCHEMBL29965660 0.77 CHRNA7 (0.32)
SCHEMBL29964745 0.76
SCHEMBL26983456 0.76 ALDH1A1 (0.34)
SCHEMBL26983404 0.76 ALDH1A1 (0.40) LMNANPC1RAB9A
SCHEMBL29964736 0.73 ALDH1A1 (0.37) RAB9A
SCHEMBL29965177 0.73 DAO (0.33)
SCHEMBL26983469 0.73 YEATS4 (0.35)

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
CN-117120435-A ABHD6 antagonists 小野药品工业株式会社 2023-11-24 CN disclosed
WO-2022211060-A1 ABHD6 ANTAGONIST 小野薬品工業株式会社 2022-10-06 WO disclosed