SCHEMBL7669482

SCHEMBL7669482

COc1ccccc1N1CCN(CCCCN2CC=C(c3c[nH]c4cc(F)ccc34)CC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.61
SLC6A4 P31645 4/20 0.61
HTR7 P34969 3/20 0.61
KCNH2 Q12809 2/20 0.61
DRD2 P14416 6/20 0.57
DRD4 P21917 1/20 0.57
HTR2A P28223 1/20 0.57
HTR2C P28335 1/20 0.57
DRD3 P35462 1/20 0.57
HTR2B P41595 1/20 0.57
HTR6 P50406 1/20 0.57

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
SCHEMBL7674067 0.99 HTR1A (0.60) HTR1ASLC6A4HTR7KCNH2DRD2
SCHEMBL7671468 0.99 HTR1A (0.60) HTR1ASLC6A4HTR7KCNH2DRD2
SCHEMBL7668732 0.91 DRD2 (0.56) HTR1ASLC6A4HTR7KCNH2DRD2
SCHEMBL7463051 0.90 HTR1A (0.64) HTR1ASLC6A4HTR7KCNH2DRD2
SCHEMBL7673363 0.90 DRD2 (0.57) HTR1ASLC6A4HTR7KCNH2DRD2
SCHEMBL7666646 0.90 DRD2 (0.57) HTR1ASLC6A4HTR7KCNH2DRD2
SCHEMBL7674736 0.90 HTR1A (0.54) HTR1ASLC6A4HTR7KCNH2DRD2
SCHEMBL7670847 0.89 HTR1A (0.54) HTR1ASLC6A4HTR7KCNH2DRD2
SCHEMBL7674793 0.89 HTR1A (0.55) HTR1ASLC6A4HTR7KCNH2DRD2
SCHEMBL7671529 0.89 HTR1A (0.52) HTR1ASLC6A4HTR7KCNH2DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6342498-B1 SEROTONIN REUPTAKE INHIBITORS FOR BRAIN DISORDERS ELI LILLY AND COMPANY 2002-01-29 US disclosed
EP-1028958-A4 ARYLPIPERAZINES AS SEROTONIN REUPTAKE INHIBITORS AND 5-HT1D ALPHA ANTAGONISTS LILLY CO ELI (US) 2001-07-18 EP disclosed
EP-1028958-A1 ARYLPIPERAZINES AS SEROTONIN REUPTAKE INHIBITORS AND 5-HT1D ALPHA ANTAGONISTS ELI LILLY AND COMPANY (US) 2000-08-23 EP disclosed
WO-1999020621-A1 ARYLPIPERAZINES AS SEROTONIN REUPTAKE INHIBITORS AND 5-HT1Dα ANTAGONISTS ELI LILLY AND COMPANY (US) 1999-04-29 WO disclosed