SCHEMBL6570932

SCHEMBL6570932

[c]1ccc(CCC(CCCc2ccccc2)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.46
KCNH2 Q12809 2/20 0.42
ACP3 P15309 1/20 0.39
SIGMAR1 Q99720 3/20 0.38
CNR1 P21554 1/20 0.36
FDFT1 P37268 1/20 0.36
MAOA P21397 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
SCHEMBL8095259 0.88 CYP2A6 (0.43) CYP19A1
SCHEMBL5332634 0.87 HTR2A (0.41) CYP19A1KCNH2SIGMAR1
SCHEMBL7426041 0.86 CFTR (0.41) CYP19A1KCNH2
SCHEMBL11712943 0.83 CYP19A1 (0.39) CYP19A1KCNH2ACP3SIGMAR1
SCHEMBL8083442 0.83 HRH1 (0.40) CYP19A1
SCHEMBL6468709 0.83 HTR2A (0.47) CYP19A1KCNH2SIGMAR1
SCHEMBL1538332 0.82 CYP19A1 (0.54) CYP19A1KCNH2ACP3SIGMAR1
SCHEMBL1170712 0.81 CYP19A1 (0.40) CYP19A1KCNH2ACP3SIGMAR1
SCHEMBL7430622 0.80 CYP19A1 (0.46) CYP19A1KCNH2SIGMAR1FDFT1
SCHEMBL6571451 0.79 TSHR (0.39) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1404325-A2 METHOD FOR TREATING NERVE INJURY CAUSED BY SURGERY GUILFORD PHARMACEUTICALS INC. (US) 2004-04-07 EP disclosed
WO-2002096420-A2 METHOD FOR TREATING NERVE INJURY CAUSED BY SURGERY GUILFORD PHARMACEUTICALS INC. (US) 2002-12-05 WO disclosed
EP-0957913-A4 N-LINKED SULFONAMIDES OF HETEROCYCLIC THIOESTERS GUILFORD PHARM INC (US) 2002-05-02 EP disclosed
CN-1336930-A Bridged heterocyclic derivatives GPINIL HOLDING CORP (US) 2002-02-20 CN disclosed
EP-1127049-A1 BRIDGED HETEROCYCLIC DERIVATIVES GPI NIL Holdings, Inc. (US) 2001-08-29 EP disclosed
EP-1085854-A1 N-LINKED SULFONAMIDE OF HETEROCYCLIC THIOESTER HAIR GROWTH COMPOUNDS AND USES GPI NIL Holdings, Inc. (US) 2001-03-28 EP disclosed
US-6121273-A ISOMERASE INHIBITORS EFFECTIVE AGAINST NEUROLOGICAL DISORDERS, I.E. PARKINSON'S DISEASE, ALZHEIMER'S DISEASE, AMYOTROPHIC LATERAL SCLEROSIS; SIDE EFFECT REDUCTION GPI NIL HOLDINGS, INC (US) 2000-09-19 US disclosed
EP-1011650-A1 METHOD FOR PREVENTING AND TREATING HEARING LOSS USING SENSORINEUROTROPHIC COMPOUNDS Amgen Inc., (US) 2000-06-28 EP disclosed
EP-0859614-A4 ROTAMASE ENZYME ACTIVITY INHIBITORS GUILFORD PHARM INC (US) 2000-04-26 EP disclosed
WO-2000016603-A2 BRIDGED HETEROCYCLIC DERIVATIVES GPI NIL HOLDINGS, INC. (US) 2000-03-30 WO disclosed
US-6004993-A TREATMENT OF ALOPECIA IN ANIMALS GPI NIL HOLDINGS, INC. (US) 1999-12-21 US disclosed
WO-1999062489-A1 N-LINKED SULFONAMIDE OF HETEROCYCLIC THIOESTER HAIR GROWTH COMPOUNDS AND USES GPI NIL HOLDINGS, INC. (US) 1999-12-09 WO disclosed
EP-0957913-A1 N-LINKED SULFONAMIDES OF HETEROCYCLIC THIOESTERS GUILFORD PHARMACEUTICALS INC. (US) 1999-11-24 EP disclosed
WO-1999014998-A2 METHOD FOR PREVENTING AND TREATING HEARING LOSS USING SENSORINEUROTROPHIC COMPOUNDS AMGEN INC. (US) 1999-04-01 WO disclosed
EP-0859614-A1 ROTAMASE ENZYME ACTIVITY INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1998-08-26 EP disclosed
WO-1998029116-A1 N-LINKED SULFONAMIDES OF HETEROCYCLIC THIOESTERS GUILFORD PHARMACEUTICALS INC. (US) 1998-07-09 WO disclosed
WO-1997016190-A1 ROTAMASE ENZYME ACTIVITY INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-05-09 WO disclosed