SCHEMBL6571491

SCHEMBL6571491

COc1cc(C(=O)C(=O)N(C)C(Cc2ccccc2)C(=O)N(CCCn2ccnc2)Cc2ccc(Cl)cc2)cc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 6/20 0.42
AVPR1B P47901 1/20 0.42
KCNA5 P22460 1/20 0.38
LPAR1 Q92633 3/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 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
SCHEMBL6571483 1.00 AVPR1A (0.42) AVPR1AAVPR1BKCNA5LPAR1CYP3A4
SCHEMBL8466684 0.82 LPAR1 (0.42) AVPR1AAVPR1BLPAR1
SCHEMBL6570407 0.81 LPAR1 (0.46) LPAR1
SCHEMBL1492154 0.80 LPAR1 (0.39) AVPR1AAVPR1BLPAR1
SCHEMBL6472382 0.80 LPAR1 (0.39) AVPR1AAVPR1BLPAR1
Timcodar SCHEMBL3673444 0.76 L3MBTL1 (0.37) LPAR1
SCHEMBL6570448 0.76 L3MBTL1 (0.37) LPAR1
Timcodar SCHEMBL1492143 0.76 L3MBTL1 (0.37) LPAR1
SCHEMBL6570451 0.76 L3MBTL1 (0.37) LPAR1
SCHEMBL8780679 0.74 SLC2A1 (0.39) LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5840736-A PEPTIDES FOR NERVE GROWTH VERTEX PHARMACEUTICALS INCORPORATED (US) 1998-11-24 US claimed
EP-1420009-A2 Novel amino acid derivatives with improved multi-drug resistance activity Vertex Pharmaceuticals Incorporated (US) 2004-05-19 EP disclosed
EP-0797567-B1 NOVEL AMINO ACID DERIVATIVES WITH IMPROVED MULTI-DRUG RESISTANCE ACTIVITY VERTEX PHARMA (US) 2004-02-11 EP disclosed
EP-0946190-B1 METHODS AND COMPOSITIONS FOR STIMULATING NEURITE OUTGROWTH VERTEX PHARMA (US) 2003-09-24 EP disclosed
US-6284778-B1 NEUROTROPHIC AGENT VERTEX PHARMACEUTICALS INCORPORATED 2001-09-04 US disclosed
US-6172086-B1 TREATING PARKINSON*S DISEASE, ALZHIEMER*S DISEASE, AMYOTROPHIC LATERAL SCLEROSIS, MULTIPLE SCLEROSIS AND OTHER NERVOUS SYSTEM DISORDERS VERTEX PHARMACEUTICALS INCORPORATED 2001-01-09 US disclosed
US-5840736-A PEPTIDES FOR NERVE GROWTH VERTEX PHARMACEUTICALS INCORPORATED (US) 1998-11-24 US disclosed