SCHEMBL5016307

SCHEMBL5016307

CC(C)c1ccc(N(C)C(=O)N2CCCCC2C(=O)OC(CCCc2cccnc2)CCCc2cccnc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 18/20 0.59
FKBP4 Q02790 2/20 0.59
FKBP5 Q13451 2/20 0.59
ABCC1 P33527 1/20 0.59

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
SCHEMBL3675702 1.00 FKBP1A (0.59) FKBP1AFKBP4FKBP5ABCC1
SCHEMBL3675084 0.91 FKBP1A (0.58) FKBP1AFKBP4FKBP5ABCC1
SCHEMBL3675085 0.91 FKBP1A (0.58) FKBP1AFKBP4FKBP5ABCC1
SCHEMBL3673585 0.86 FKBP1A (0.76) FKBP1AFKBP4FKBP5ABCC1
SCHEMBL3673587 0.86 FKBP1A (0.76) FKBP1AFKBP4FKBP5ABCC1
SCHEMBL3675698 0.85 FKBP1A (0.61) FKBP1AFKBP4FKBP5ABCC1
SCHEMBL3679353 0.85 FKBP1A (0.60) FKBP1AFKBP4FKBP5ABCC1
SCHEMBL3679356 0.85 FKBP1A (0.60) FKBP1AFKBP4FKBP5ABCC1
SCHEMBL5017050 0.81 FKBP1A (0.65) FKBP1AFKBP4FKBP5ABCC1
SCHEMBL3676924 0.80 FKBP1A (0.65) FKBP1AFKBP4FKBP5ABCC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1227859-B1 NEUROPHILIN LIGANDS FOR TREATING OCULAR CONDITIONS ALCON INC (CH) 2006-08-09 EP claimed
EP-0754176-B1 NOVEL CARBAMATES AND UREAS AS MODIFIERS OF MULTI-DRUG RESISTANCE VERTEX PHARMA (US) 2001-12-05 EP claimed
US-5780484-A Methods for stimulating neurite growth with piperidine compounds VERTEX PHARMACEUTICALS INCORPORATED (US) 1998-07-14 US claimed
US-5744485-A INCREASE SENSITIVITY OF CELLS; CANCER VERTEX PHARMACEUTICALS INCORPORATED (US) 1998-04-28 US claimed
EP-1138673-B1 Novel carbamates and ureas as modifiers of multi-drug resistance VERTEX PHARMA (US) 2008-08-06 EP disclosed
EP-1666053-A1 Methods and compositions for stimulating neurite growth using compounds with affinity for fkbp12 in combination with neurotrophic factors Vertex Pharmceuticals Incorporated (US) 2006-06-07 EP disclosed
EP-0754176-B1 NOVEL CARBAMATES AND UREAS AS MODIFIERS OF MULTI-DRUG RESISTANCE VERTEX PHARMA (US) 2001-12-05 EP disclosed
EP-1138673-A2 Novel carbamates and ureas as modifiers of multi-drug resistance Vertex Pharmaceuticals Incorporated (US) 2001-10-04 EP disclosed
US-5780484-A Methods for stimulating neurite growth with piperidine compounds VERTEX PHARMACEUTICALS INCORPORATED (US) 1998-07-14 US disclosed
US-5744485-A INCREASE SENSITIVITY OF CELLS; CANCER VERTEX PHARMACEUTICALS INCORPORATED (US) 1998-04-28 US disclosed