SCHEMBL8475787

SCHEMBL8475787

NCCc1c[nH]c2ccc(-c3ncc[nH]3)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 9/20 0.54
HTR1B P28222 7/20 0.54
HTR1A P08908 9/20 0.54
HTR2A P28223 7/20 0.54
TRPM8 Q7Z2W7 4/20 0.54
HTR2C P28335 4/20 0.54
HTR6 P50406 3/20 0.54
HTR2B P41595 2/20 0.54
CYP1A2 P05177 2/20 0.54
TSHR P16473 2/20 0.54
HTR7 P34969 2/20 0.54
HTR4 Q13639 2/20 0.54
MPO P05164 1/20 0.54
HTR3E A5X5Y0 1/20 0.54
HTR3B O95264 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
DRD1 P21728 1/20 0.54
HTR1E P28566 1/20 0.54

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
SCHEMBL8475951 0.84 HTR1D (0.61) HTR1DHTR1BHTR1AHTR2AHTR2C
SCHEMBL7326496 0.78 HTR1D (0.57) HTR1DHTR1BHTR1AHTR2ATRPM8
SCHEMBL2536567 0.76 LTA4H (0.67) HTR1DHTR1BHTR1AHTR2ATRPM8
SCHEMBL7325323 0.74 HTR2A (0.77) HTR1DHTR1BHTR1AHTR2ATRPM8
SCHEMBL2537905 0.74 MPO (0.77) HTR1DHTR1BHTR1AHTR2ATRPM8
SCHEMBL7322600 0.74 HTR2A (0.77) HTR1DHTR1BHTR1AHTR2ATRPM8
Hydrochloric Acid SCHEMBL9238831 0.74 HTR6 (0.58) HTR1DHTR1BHTR1AHTR2ATRPM8
SCHEMBL9827561 0.74 HTR1A (0.54) HTR1DHTR1BHTR1AHTR2ATRPM8
SCHEMBL8474259 0.73 HTR6 (0.56) HTR1DHTR1BHTR1AHTR2CHTR6
Oxalic Acid SCHEMBL9284563 0.73 HTR7 (0.59) HTR1DHTR1BHTR1AHTR2ATRPM8

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-5886008-A 5-arylindole derivatives PFIZER INC. (US) 1999-03-23 US claimed
US-5886008-A 5-arylindole derivatives PFIZER INC. (US) 1999-03-23 US disclosed