SCHEMBL7666807

SCHEMBL7666807

COc1ccccc1N1CCN(CCCCCCN2CCC(c3c[nH]c4cc(F)ccc34)CC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.62
ADRA1D P25100 3/20 0.62
SLC6A4 P31645 7/20 0.61
HTR7 P34969 6/20 0.61
KCNH2 Q12809 2/20 0.61
DRD2 P14416 5/20 0.61
ADRA1B P35368 1/20 0.59
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
NLRP1 Q9C000 1/20 0.54
HTR2A P28223 4/20 0.53
HTR6 P50406 4/20 0.53

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
Hydrochloric Acid SCHEMBL7662224 0.99 HTR1A (0.63) HTR1AADRA1DSLC6A4HTR7KCNH2
Hydrochloric Acid SCHEMBL7672833 0.99 HTR1A (0.63) HTR1AADRA1DSLC6A4HTR7KCNH2
Hydrochloric Acid SCHEMBL7668625 0.91 HTR1A (0.58) HTR1AADRA1DSLC6A4HTR7KCNH2
SCHEMBL7458906 0.91 HTR1A (0.73) HTR1AADRA1DSLC6A4HTR7KCNH2
SCHEMBL7691096 0.90 ADRA1D (0.52) HTR1AADRA1DSLC6A4HTR7KCNH2
Hydrochloric Acid SCHEMBL7673322 0.89 HTR1A (0.53) HTR1AADRA1DSLC6A4HTR7KCNH2
Hydrochloric Acid SCHEMBL7662582 0.89 HTR1A (0.53) HTR1AADRA1DSLC6A4HTR7KCNH2
SCHEMBL7467800 0.89 HTR1A (0.75) HTR1ASLC6A4HTR7KCNH2DRD2
Hydrochloric Acid SCHEMBL7670760 0.87 DRD2 (0.56) HTR1AADRA1DSLC6A4HTR7KCNH2
SCHEMBL7664024 0.85 HTR1A (0.54) 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 2 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 claimed
WO-2020183011-A1 HTR1D INHIBITORS AND USES THEREOF IN THE TREATMENT OF CANCER INSTITUT CURIE (FR) 2020-09-17 WO disclosed