SCHEMBL6569660

SCHEMBL6569660

CC(C)CCCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.59
HRH1 P35367 8/20 0.58
HTR2A P28223 7/20 0.58
CYP3A4 P08684 2/20 0.50
HTR1A P08908 2/20 0.50
ADORA3 P0DMS8 2/20 0.50
SLC6A2 P23975 2/20 0.50
SLC6A4 P31645 2/20 0.50
ADRA1A P35348 2/20 0.50
OPRM1 P35372 2/20 0.50
DRD3 P35462 2/20 0.50
SLC6A3 Q01959 2/20 0.50
KCNH2 Q12809 2/20 0.50
CHRM2 P08172 1/20 0.50
ADRA2A P08913 1/20 0.50
CHRM1 P11229 1/20 0.50
SMPD1 P17405 1/20 0.50
DRD1 P21728 1/20 0.50
TBXA2R P21731 1/20 0.50
CASR P41180 1/20 0.50

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
SCHEMBL6568692 0.95 HRH1 (0.58) SIGMAR1HRH1HTR2ACYP3A4HTR1A
SCHEMBL28724658 0.92 SIGMAR1 (0.52) SIGMAR1HRH1HTR2ACYP3A4HTR1A
SCHEMBL9073997 0.87 HRH1 (0.71) SIGMAR1HRH1HTR2AHTR1AADORA3
Hydrochloric Acid SCHEMBL11583520 0.86 HRH1 (0.63) SIGMAR1HRH1HTR2ACYP3A4HTR1A
SCHEMBL3644776 0.85 HRH1 (0.54) SIGMAR1HRH1HTR2ACYP3A4HTR1A
SCHEMBL15570656 0.84 SIGMAR1 (0.45) SIGMAR1HRH1HTR2ACYP3A4HTR1A
SCHEMBL7298876 0.82 AOC3 (0.58) ADRA2ALMNAALDH1A1ADRA2C
SCHEMBL11583522 0.81 HRH1 (0.63) SIGMAR1HRH1HTR2ACYP3A4HTR1A
SCHEMBL11584939 0.81 HRH1 (0.69) SIGMAR1HRH1HTR2ACYP3A4HTR1A
SCHEMBL81907 0.81 SIGMAR1 (0.64) SIGMAR1HRH1HTR2ACYP3A4HTR1A

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 6 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-1104298-A2 HETEROCYCLIC THIOESTERS OR KETONES FOR VISION AND MEMORY DISORDERS GPI NIL Holdings, Inc. (US) 2001-06-06 EP disclosed
EP-1011650-A1 METHOD FOR PREVENTING AND TREATING HEARING LOSS USING SENSORINEUROTROPHIC COMPOUNDS Amgen Inc., (US) 2000-06-28 EP disclosed
WO-2000009479-A2 HETEROCYCLIC THIOESTERS OR KETONES FOR VISION AND MEMORY DISORDERS GPI NIL HOLDINGS, INC. (US) 2000-02-24 WO disclosed
WO-1999014998-A2 METHOD FOR PREVENTING AND TREATING HEARING LOSS USING SENSORINEUROTROPHIC COMPOUNDS AMGEN INC. (US) 1999-04-01 WO disclosed