SCHEMBL6162425

SCHEMBL6162425

C1=C(c2cn(-c3ccccc3)c3ccccc23)CCN(Cc2ccccc2)C1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.67
DRD2 P14416 12/20 0.57
HTR1A P08908 6/20 0.57
HTR2A P28223 2/20 0.57
HTT P42858 1/20 0.57
HTR7 P34969 1/20 0.56
DRD4 P21917 7/20 0.50
OPRM1 P35372 1/20 0.49
OPRK1 P41145 1/20 0.49
DRD3 P35462 6/20 0.48
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43

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
SCHEMBL11784970 0.84 HTR6 (0.65) HTR6DRD2HTR1AHTR2AHTT
SCHEMBL13944390 0.78 HTR6 (0.51) HTR6DRD2HTR1AHTR7
SCHEMBL8450188 0.77 HTR7 (0.44) HTR6DRD2HTR1AHTR2AHTT
SCHEMBL10366044 0.76 KCNH2 (0.53) HTR6DRD2HTR7
SCHEMBL6042752 0.76 DRD2 (0.63) HTR6DRD2HTR1AHTR2AHTT
SCHEMBL9462570 0.74 HTR7 (0.43) HTR6DRD2HTR7
SCHEMBL2395932 0.74 DRD4 (0.67) DRD2HTR1AHTR2AHTTDRD4
SCHEMBL28680519 0.74 HTR6 (0.56) HTR6DRD2HTR1AHTR2AHTT
SCHEMBL7543848 0.72 HTR1A (1.00) HTR6DRD2HTR1AHTR2AHTT
SCHEMBL6707943 0.72 DRD2 (0.59) HTR6DRD2HTR1AHTR2AHTT

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
EP-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 EP disclosed
US-5936089-A PIPERIDINE DERIVATIVES; BONE DISORDERS; OBESITY; AGING; CACHEXIA ASSOCIATED WITH AIDS AND CANCER PFIZER INC (US) 1999-08-10 US disclosed