SCHEMBL24722751

SCHEMBL24722751

Cc1cc(C(C)(C)C)cc2c1N1CCN(C)C[C@@H]1COC2

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.35
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
HTR1D P28221 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL24722876 0.87 NPSR1 (0.33) HTR2AHTR2CHTR2B
SCHEMBL24722746 0.87 NPSR1 (0.33) HTR2AHTR2CHTR2B
SCHEMBL24723423 0.85 KDM4E (0.32) HTR2AHTR2CHTR2B
SCHEMBL24722909 0.71 DRD2 (0.36) ADRA2AADRA2BADRA2CHTR1DHTR2A
SCHEMBL26958319 0.69 TIPARP (0.47) HRH3HTR2AHTR2CHTR2B
SCHEMBL691897 0.69 HTR2A (0.49) ADRA2AADRA2BADRA2CHTR1DHTR2A
SCHEMBL26958226 0.68 HTR2A (0.35) HTR2AHTR2CHTR2B
SCHEMBL26959683 0.68 HTR2A (0.35) HTR2AHTR2CHTR2B
SCHEMBL2018650 0.68 KDM4E (0.46) ADRA2AADRA2BADRA2CHTR1DHTR2A
SCHEMBL693038 0.68 POLB (0.40) HRH3ADRA2AADRA2BADRA2CHTR1D

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
WO-2022166920-A1 PYRROLOPYRIDAZINE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 杭州中美华东制药有限公司 2022-08-11 WO disclosed