SCHEMBL29995259

SCHEMBL29995259

Clc1ccc2nc(O[C@H]3CCNC3)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 13/20 0.49
HTR2B P41595 13/20 0.49
PRKCZ Q05513 1/20 0.44

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
SCHEMBL23708624 1.00 HTR2C (0.49) HTR2CHTR2BPRKCZ
SCHEMBL26774676 1.00 HTR2C (0.49) HTR2CHTR2BPRKCZ
SCHEMBL23708625 1.00 HTR2C (0.49) HTR2CHTR2BPRKCZ
SCHEMBL5464152 0.80 CHRNB2 (0.49) PRKCZ
Hydrochloric Acid SCHEMBL5463046 0.79 CHRNB2 (0.48) PRKCZ
SCHEMBL13560051 0.76 HTR2C (0.48) HTR2CHTR2B
SCHEMBL4823398 0.76 HTR2C (0.48) HTR2CHTR2B
SCHEMBL4821645 0.73 CHRNB2 (0.50) HTR2CHTR2BPRKCZ
SCHEMBL31352387 0.71 PRKCZ (0.48) HTR2CHTR2BPRKCZ
SCHEMBL31352310 0.71 PRKCZ (0.48) HTR2CHTR2BPRKCZ

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118702672-A Compounds and compositions for treating skin disorders 卡玛瑞制药有限公司 2024-09-27 CN disclosed
CN-115335050-B Compounds and compositions for treating skin disorders 卡玛瑞制药有限公司 2024-05-17 CN disclosed
CN-115335050-A Compounds and compositions for treating skin conditions 卡玛瑞制药有限公司 2022-11-11 CN disclosed