SCHEMBL7873259

SCHEMBL7873259

COc1ccc2c(CC[NH])c[nH]c2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.73
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
HTR6 P50406 3/20 0.69
MTNR1A P48039 2/20 0.61
MTNR1B P49286 2/20 0.61
HTR1A P08908 3/20 0.56
MAPT P10636 3/20 0.56
CYP2D6 P10635 2/20 0.56
CYP1A2 P05177 2/20 0.56
HTR1D P28221 2/20 0.56
HTR1B P28222 2/20 0.56
HTR2C P28335 2/20 0.56
HTR7 P34969 2/20 0.56
HTR4 Q13639 2/20 0.56
TSHR P16473 1/20 0.56
NFKB1 P19838 1/20 0.56
TRPM8 Q7Z2W7 1/20 0.56
BLM P54132 1/20 0.55
PMP22 Q01453 1/20 0.55

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
SCHEMBL7873256 0.88 HTR2A (0.73) HTR2AHTR6MTNR1AMTNR1BHTR1A
SCHEMBL13715395 0.86 HTR2A (0.75) HTR2AMEN1KMT2AHTR6MTNR1A
SCHEMBL3812224 0.84 CYP2D6 (0.78) HTR2AMEN1KMT2AHTR6MTNR1A
SCHEMBL379337 0.84 HTR2A (1.00) HTR2AMEN1KMT2AHTR6MTNR1A
SCHEMBL3816723 0.84 HTR2A (0.73) HTR2AMEN1KMT2AHTR6MTNR1A
SCHEMBL27911671 0.83 GPR84 (0.75) HTR2AMEN1KMT2AHTR6MTNR1A
SCHEMBL14191591 0.83 HTR2A (0.71) HTR2AMEN1KMT2AHTR6MTNR1A
SCHEMBL8377078 0.82 HTR2A (0.69) HTR2AMEN1KMT2AHTR6MTNR1A
SCHEMBL25247611 0.82 HTR6 (1.00) HTR2AMEN1KMT2AHTR6MTNR1A
SCHEMBL12352511 0.82 HTR2A (0.79) HTR2AMEN1KMT2AHTR6MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0808303-B1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ASTRAZENECA AB (SE) 2001-06-20 EP disclosed
EP-0808303-A1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1997-11-26 EP disclosed
WO-1996024582-A1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1996-08-15 WO disclosed