SCHEMBL30282949

SCHEMBL30282949

CN1CCC(NC(=O)C2CNC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM5A P29375 1/20 0.43
CYP3A4 P08684 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 4/20 0.40
CYP2D6 P10635 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
GAA P10253 1/20 0.40
P2RX4 Q99571 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 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
SCHEMBL30382788 0.90 POLB (0.53) POLBTSHRL3MBTL1KDM5ACYP3A4
SCHEMBL18712984 0.87 SLC6A1 (0.47) POLBTSHRL3MBTL1KDM5ACYP3A4
SCHEMBL10265288 0.85 POLB (0.53) POLBTSHRL3MBTL1KDM5ACYP3A4
SCHEMBL20159607 0.85 L3MBTL1 (0.51) POLBTSHRL3MBTL1CYP3A4RAB9A
SCHEMBL18712990 0.84 POLB (0.65) POLBTSHRL3MBTL1KDM5ACYP3A4
SCHEMBL3329374 0.82 POLB (0.59) POLBL3MBTL1KDM5AALDH1A1MAPK1
SCHEMBL25043979 0.81 TSHR (0.45) POLBTSHRL3MBTL1KDM5ACYP3A4
SCHEMBL14820327 0.81 POLB (0.41) POLBTSHRL3MBTL1KDM5ACYP3A4
SCHEMBL17625632 0.81 L3MBTL1 (0.57) POLBTSHRL3MBTL1CYP3A4RAB9A
SCHEMBL13783325 0.81 L3MBTL1 (0.61) TSHRL3MBTL1CYP3A4RAB9AALDH1A1

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-115703765-B Substituted triazole derivative, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2025-02-28 CN disclosed
CN-115703765-A Substituted triazole derivative, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2023-02-17 CN disclosed