SCHEMBL8696641

SCHEMBL8696641

COc1ccc2oc(-c3csc(C)n3)cc2c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 3/20 0.53
APP P05067 4/20 0.52
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ADRA2A P08913 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
GAA P10253 1/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
PTGES O14684 1/20 0.44

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
SCHEMBL8316092 0.85 F2RL3 (0.50) F2RL3APPKDM4ENPC1ALDH1A1
SCHEMBL4491412 0.79 CYP1A2 (0.50) NPC1MAPTRAB9AADRA2AADRA2B
SCHEMBL8314504 0.79 RAB9A (0.70) F2RL3APPKDM4ENPC1ALDH1A1
SCHEMBL12647915 0.77 NPC1 (0.69) F2RL3KDM4ENPC1ALDH1A1MAPT
SCHEMBL8312888 0.77 MAPT (0.56) APPKDM4ENPC1ALDH1A1MAPT
SCHEMBL8314545 0.75 MAOB (0.56) F2RL3APPKDM4ENPC1ALDH1A1
SCHEMBL8317400 0.75 MAPT (0.46) F2RL3APPKDM4ENPC1ALDH1A1
SCHEMBL16707956 0.75 F2RL3 (0.79) F2RL3
SCHEMBL10901627 0.75 APP (0.68) F2RL3APPKDM4ENPC1ALDH1A1
SCHEMBL8310447 0.74 CYP19A1 (0.50) F2RL3APPKDM4ENPC1ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5767133-A Secondary amines as antidiabetic and antiobesity agents PFIZER INC. (US) 1998-06-16 US disclosed
EP-0703911-B1 SECONDARY AMINES AS ANTIDIABETIC AND ANTIOBESITY AGENTS PFIZER (US) 1997-07-02 EP disclosed
US-5627200-A β3 -Adrenoceptor agonists and antagonists for the treatment of intestinal motility disorders, depression, prostate disease and dyslipidemia PFIZER INC (US) 1997-05-06 US disclosed
EP-0703911-A1 SECONDARY AMINES AS ANTIDIABETIC AND ANTIOBESITY AGENTS PFIZER (US) 1996-04-03 EP disclosed
WO-1994029290-A1 SECONDARY AMINES AS ANTIDIABETIC AND ANTIOBESITY AGENTS PFIZER INC. (US) 1994-12-22 WO disclosed