SCHEMBL31536280

SCHEMBL31536280

CN1CCC(c2ccc(Br)nc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ QDPR P09417 2/20 0.47
▸ CHRNB2 P17787 2/20 0.41
▸ CHRNA4 P43681 2/20 0.41
▸ LSS P48449 1/20 0.41
▸ TRPV6 Q9H1D0 1/20 0.39
▸ DRD2 P14416 2/20 0.39
▸ IL2 P60568 1/20 0.38
▸ MAP4K1 Q92918 1/20 0.38
▸ TGFBR1 P36897 1/20 0.38
▸ ACVR1 Q04771 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38

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
SCHEMBL24567826 1.00 QDPR (0.47) QDPRCHRNB2CHRNA4LSSTRPV6
SCHEMBL1655533 0.83 TRPV6 (0.42) CHRNB2CHRNA4TRPV6
SCHEMBL29909305 0.83 TRPV6 (0.42) CHRNB2CHRNA4TRPV6
SCHEMBL255093 0.81 QDPR (0.49) QDPRCHRNB2CHRNA4LSSMAP4K1
SCHEMBL13085544 0.79 QDPR (0.47) QDPRLSS
SCHEMBL1392852 0.79 QDPR (0.47) QDPRLSSDRD2
SCHEMBL21037759 0.79 CHRNB2 (0.53) QDPRCHRNB2CHRNA4LSS
SCHEMBL25702645 0.78 KDM4E (0.54) TRPV6
SCHEMBL7488149 0.77 CHRNB2 (0.39) CHRNB2CHRNA4TRPV6
SCHEMBL22502996 0.77 QDPR (0.45) QDPRLSSDRD2

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
CN-119707930-A Aromatic ring compound and its prepn and use 甘李药业股份有限公司 2025-03-28 — — CN disclosed
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