Xenalipin

Xenalipin

SCHEMBL9093534

CCCC(=S)C1NCCc2cc(N)ccc21.O=C(O)c1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MTTP P55157 6/20 0.37
▸ KDM6B O15054 4/20 0.36
▸ KDM4C Q9H3R0 4/20 0.36
▸ KDM1A O60341 2/20 0.36
▸ FPR2 P25090 2/20 0.35
▸ PPARG P37231 1/20 0.35
▸ APOB P04114 3/20 0.35
▸ ADRB3 P13945 2/20 0.35
▸ ADRA2B P18089 2/20 0.35
▸ DRD1 P21728 2/20 0.35
▸ DRD5 P21918 2/20 0.35
▸ ADRA1B P35368 2/20 0.35
▸ P2RY14 Q15391 2/20 0.35
▸ TMEM97 Q5BJF2 2/20 0.35
▸ SIGMAR1 Q99720 2/20 0.35

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
Xenalipin SCHEMBL9094220 0.84 MTTP (0.40) MTTPKDM6BKDM4CKDM1AFPR2
SCHEMBL6967303 0.78 TBXA2R (0.40) KDM1AADRB3
Xenalipin SCHEMBL9094027 0.73 MTTP (0.42) MTTPFPR2PPARG
SCHEMBL6973361 0.70 ADRB2 (0.41) KDM1A
SCHEMBL9093528 0.70 DRD2 (0.34) MTTPAPOBADRB3ADRA2BDRD1
SCHEMBL6974470 0.68 ADRB2 (0.42) KDM1ADRD1
Xenalipin SCHEMBL133087 0.67 CYP2C8 (0.58) MTTPFPR2APOB
Xenalipin SCHEMBL29881739 0.67 CYP2C8 (0.58) MTTPFPR2APOB
SCHEMBL8472080 0.67 KDM1A (0.47) KDM1ASIGMAR1
SCHEMBL8211362 0.67 MTTP (0.54) MTTPAPOB

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-1996040640-A1 BIPHENYL-2-CARBOXYLIC ACID-TETRAHYDRO-ISOQUINOLIN-6-YL AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND/OR APOLIPOPROTEIN B (Apo B) SECRETION PFIZER INC. (US) 1996-12-19 — — WO disclosed
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