SCHEMBL8790790

SCHEMBL8790790

O=C[C@H]1CCCCN1C(=O)OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
PREP P48147 3/20 0.52
FKBP1A P62942 2/20 0.52
TMEM97 Q5BJF2 2/20 0.51
SIGMAR1 Q99720 2/20 0.51
ACE2 Q9BYF1 2/20 0.50
CYP2C19 P33261 1/20 0.50
CTRB1 P17538 1/20 0.49

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
SCHEMBL2723657 1.00 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9APREPFKBP1A
SCHEMBL12490662 1.00 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9APREPFKBP1A
SCHEMBL2195118 0.96 PREP (0.56) SMN1; SMN2NPC1RAB9APREPACE2
SCHEMBL2198909 0.96 PREP (0.56) SMN1; SMN2NPC1RAB9APREPACE2
SCHEMBL2198876 0.96 PREP (0.56) SMN1; SMN2NPC1RAB9APREPACE2
SCHEMBL31603524 0.90 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL8639445 0.89 PREP (0.65) PREPCTRB1
SCHEMBL7118362 0.87 PREP (0.48) SMN1; SMN2NPC1RAB9APREPFKBP1A
SCHEMBL7049870 0.87 PREP (0.48) SMN1; SMN2NPC1RAB9APREPFKBP1A
SCHEMBL8790173 0.87 PREP (0.48) SMN1; SMN2NPC1RAB9APREPFKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011082077-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-07 WO disclosed
EP-0592438-B1 INDOLE DERIVATIVES PFIZER (US) 1997-08-27 EP disclosed
US-5607951-A SEROTONIN AGONIST FOR NERVOUS SYSTEM DISORDERS, ANALGESICS AND PSYCHOTHERAPEUTICS PFIZER INC (US) 1997-03-04 US disclosed
EP-0747353-A2 Indole derivatives PFIZER INC. (US) 1996-12-11 EP disclosed
US-5578612-A Indole derivatives PFIZER INC. (US) 1996-11-26 US disclosed
US-5559129-A SEROTONIN (5HT1) ANTAGONIST FOR TREATMENT OF DEPRESSION, ANXIETY, EATING DISORDERS, OBESITY, DRUG ABUSE, HEADACHES, AND PAIN PFIZER INC (US) 1996-09-24 US disclosed
US-5545644-A SEROTONIN AGONISTS; HYPOTENSIVE AND ANXIOLYTIC AGENTS; ANALGESICS; ANTIDEPRESSANTS; EATING DISORDERS; DRUG ABUSE; HEADACHES; VASCULAR DISORDERS PFIZER INC. (US) 1996-08-13 US disclosed
EP-0592438-A1 INDOLE DERIVATIVES. PFIZER (US) 1994-04-20 EP disclosed
WO-1992006973-A1 INDOLE DERIVATIVES PFIZER INC. (US) 1992-04-30 WO disclosed