SCHEMBL31690293

SCHEMBL31690293

NC1CCOc2c(Cl)ccc(Br)c21

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
ADRA1A P35348 1/20 0.31
IL1RN P18510 1/20 0.30
ERAP2 Q6P179 1/20 0.30
ERAP1 Q9NZ08 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
SCHEMBL31644261 0.79 CHRM2 (0.36) ADRA2AADRA2BADRA2CADRA1A
SCHEMBL31316676 0.79 CHRM2 (0.36) ADRA2AADRA2BADRA2CADRA1A
SCHEMBL3847929 0.70 ADRA2A (0.50) ADRA2AADRA2BADRA2CADRA1A
SCHEMBL31300318 0.70 MAP3K14 (0.45) ADRA2AADRA2BADRA2CADRA1A
SCHEMBL31316665 0.70 ADRA2A (0.50) ADRA2AADRA2BADRA2CADRA1A
Hydrochloric Acid SCHEMBL31316673 0.69 ADRA2A (0.49) ADRA2AADRA2BADRA2CADRA1A
SCHEMBL20763587 0.68 IL1RN (0.50) IL1RNERAP2ERAP1
SCHEMBL23976501 0.68 KDM1A (0.45) ADRA2AADRA2BADRA2CADRA1A
SCHEMBL30216698 0.68 CNR1 (0.36) ADRA2AADRA2BADRA2CADRA1A
SCHEMBL22076748 0.67 HTR2A (0.34) ADRA2AADRA2BADRA2CADRA1AIL1RN

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
EP-4624473-A1 PYRROLO[3,2-D]PYRIMIDIN-4-ONE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Shenzhen Salubris Pharmaceuticals Co., Ltd. (CN) 2025-10-01 EP disclosed