SCHEMBL7808271

SCHEMBL7808271

CC1CN(CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CCN1CC(=O)Nc1c(Cl)cc(N)cc1Cl

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 2/20 0.80
KCNH2 Q12809 11/20 0.51
SLC6A3 Q01959 4/20 0.51
HTR2A P28223 3/20 0.51
DRD3 P35462 3/20 0.51
OPRD1 P41143 3/20 0.51
OPRK1 P41145 3/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
DRD2 P14416 2/20 0.51
SLC6A2 P23975 2/20 0.51
SLC6A4 P31645 2/20 0.51
HTR2B P41595 2/20 0.51
ADORA3 P0DMS8 2/20 0.51
ADRA1A P35348 2/20 0.51
HRH1 P35367 2/20 0.51
MLNR O43193 1/20 0.51
NR1I2 O75469 1/20 0.51

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
SCHEMBL7810743 0.91 SLC29A1 (0.69) SLC29A1KCNH2SLC6A3HTR2ADRD3
SCHEMBL10459780 0.91 SLC29A1 (0.67) SLC29A1KCNH2SLC6A3HTR2ADRD3
Hydrochloric Acid SCHEMBL9808206 0.90 SLC29A1 (0.66) SLC29A1KCNH2SLC6A3HTR2ADRD3
Draflazine SCHEMBL7705425 0.89 SLC29A1 (1.00) SLC29A1KCNH2SLC6A3HTR2ADRD3
Draflazine SCHEMBL215826 0.89 SLC29A1 (1.00) SLC29A1KCNH2SLC6A3HTR2ADRD3
Draflazine SCHEMBL9362256 0.88 SLC29A1 (0.98) SLC29A1KCNH2SLC6A3HTR2ADRD3
Draflazine SCHEMBL9410932 0.88 SLC29A1 (0.98) SLC29A1KCNH2SLC6A3HTR2ADRD3
Isopropyl Alcohol SCHEMBL7808430 0.88 SLC29A1 (0.63) SLC29A1KCNH2SLC6A3HTR2ADRD3
SCHEMBL7517455 0.88 SLC29A1 (0.76) SLC29A1KCNH2SLC6A3HTR2ADRD3
Hydrochloric Acid SCHEMBL7810744 0.87 SLC29A1 (0.75) SLC29A1KCNH2SLC6A3HTR2ADRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0727421-B1 Agents for improving sleep JANSSEN PHARMACEUTICA NV (BE) 2001-10-24 EP disclosed
EP-0727421-A1 Agents for improving sleep JANSSEN PHARMACEUTICA N.V. (BE) 1996-08-21 EP disclosed
US-5026853-A Sleep and cardiovascular disorders JANSSEN PHARMACEUTICA N.V. (BE) 1991-06-25 US disclosed
EP-0236307-B1 ANTIHYPERTENSIVE AGENTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THE PREPARATION OF THE AGENTS AND COMPOSITIONS SCHERING CORPORATION (US) 1991-04-17 EP disclosed
US-4968684-A N-ARYL-PIPERAZINEALKANAMIDE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1990-11-06 US disclosed
US-4880808-A SEDATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1989-11-14 US disclosed
US-4840772-A KIT WITH CONTAINERS OF AGENT TO REDUCE INTRAOCULAR PRESSURE AND ANTIINFLAMMATORY STEROID OR BETA-BLOCKER SCHERING CORPORATION (US) 1989-06-20 US disclosed
US-4783444-A SUBSTITUTED DIPEPTIDES SCHERING CORPORATION (US) 1988-11-08 US disclosed
EP-0285219-A2 Method of improving sleep JANSSEN PHARMACEUTICA N.V. (BE) 1988-10-05 EP disclosed
US-4691049-A Process for preparing a specific diastereomer of a monoamino dicarboxylic acid ester SCHERING CORPORATION (US) 1987-09-01 US disclosed
US-4584285-A Antihypertensive agents SCHERING CORPORATION (US) 1986-04-22 US disclosed