SCHEMBL23577498

SCHEMBL23577498

COCC1(c2ccc(C(F)(F)F)cc2)CCN(C(=O)c2ccc(C3(OC)COC3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ MRGPRX4 Q96LA9 1/20 0.43
▸ EPHX2 P34913 4/20 0.42
▸ EPHX1 P07099 1/20 0.42
▸ CYP3A4 P08684 3/20 0.41
▸ TACR1 P25103 2/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ GPR183 P32249 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ ADRA1D P25100 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ ADRA1B P35368 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ PRKAB2 O43741 1/20 0.38
▸ PRKAG1 P54619 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
SCHEMBL23577901 0.89 MEN1 (0.50) TSHRMEN1HPGDKMT2AMRGPRX4
SCHEMBL23605163 0.88 TACR1 (0.36) MRGPRX4TACR1
SCHEMBL24529922 0.88 MEN1 (0.53) TSHRMEN1HPGDKMT2AEPHX2
SCHEMBL23577864 0.84 KMT2A (0.45) TSHRMEN1HPGDKMT2AMRGPRX4
SCHEMBL29844055 0.82 CYP3A4 (0.53) TSHRMEN1HPGDKMT2AMRGPRX4
SCHEMBL23577470 0.82 CA12 (0.45) TSHRMEN1HPGDKMT2AMRGPRX4
SCHEMBL23577522 0.82 HTT (0.52) TSHRMEN1HPGDKMT2AEPHX2
SCHEMBL29844023 0.82 MEN1 (0.47) TSHRMEN1HPGDKMT2AMRGPRX4
SCHEMBL23577339 0.80 MAPK7 (0.48) TSHRMEN1HPGDKMT2AEPHX2
SCHEMBL24529880 0.80 SLC2A1 (0.51) TSHRMEN1HPGDKMT2AMRGPRX4

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
EP-4081509-A1 NOVEL COMPOUNDS SUITABLE FOR THE TREATMENT OF DYSLIPIDEMIA Zydus Lifesciences Limited (IN) 2022-11-02 — — EP claimed
EP-4081509-A1 NOVEL COMPOUNDS SUITABLE FOR THE TREATMENT OF DYSLIPIDEMIA Zydus Lifesciences Limited (IN) 2022-11-02 — — EP disclosed
WO-2021130723-A1 NOVEL COMPOUNDS SUITABLE FOR THE TREATMENT OF DYSLIPIDEMIA CADILA HEALTHCARE LIMITED (IN) 2021-07-01 — — WO disclosed
Send feedback