SCHEMBL7975971

SCHEMBL7975971

COC(CCCc1ccccc1Cl)C(=O)NCCCc1ccc(C(=O)O)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MTNR1A P48039 1/20 0.37
▸ MTNR1B P49286 1/20 0.37
▸ CASR P41180 2/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ HRH2 P25021 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ HRH1 P35367 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ HTR5A P47898 1/20 0.36

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
SCHEMBL5726132 0.83 ALDH1A1 (0.46) CYP2D6CYP2C9CYP2C19KMT2AMTNR1A
SCHEMBL7975973 0.72 MRGPRX4 (0.35) SLC6A2HTR2AHTR2CHTR2BPLAAT3
SCHEMBL31504505 0.69 TAAR1 (0.49) CASRHTR1AADRA2BADRA2CSLC6A2
SCHEMBL5725348 0.69 ALDH1A1 (0.44) KMT2AHDAC8PLAAT3PLAAT5PLAAT2
SCHEMBL26622159 0.64 SLC6A2 (0.46) CASRSLC6A2HDAC8HIF1APLAAT3
SCHEMBL9767859 0.62 SLC6A2 (0.51) KMT2ASLC6A2HIF1APLAAT3PLAAT5
SCHEMBL31688712 0.62 FOLH1 (0.48) CASRSLC6A2HIF1APLAAT3PLAAT5
SCHEMBL26622161 0.62 TAAR1 (0.50) CASRHIF1APLAAT3PLAAT5PLAAT2
SCHEMBL9064570 0.61 PTGER1 (0.62) KMT2AHTR1AHPGDALDH1A1L3MBTL1
SCHEMBL261238 0.61 POLB (0.54) HPGDALDH1A1

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
US-6288120-B1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists PFIZER INC. 2001-09-11 — — US disclosed
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