SCHEMBL11519929

SCHEMBL11519929

COc1ccc2[nH]cc(CCN3CCCCC3CC3CCCCC3)c2c1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.65
HTR1A P08908 7/20 0.59
HTR1B P28222 4/20 0.59
HTR6 P50406 2/20 0.51
ALOX5 P09917 2/20 0.51
MTNR1B P49286 2/20 0.51
HTR1D P28221 2/20 0.50
SLC6A4 P31645 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP1A2 P05177 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
HTR2C P28335 1/20 0.49
HTR7 P34969 1/20 0.49
HTR4 Q13639 1/20 0.49
TRPM8 Q7Z2W7 1/20 0.49
MTNR1A P48039 1/20 0.49

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
SCHEMBL27206364 0.85 HTR1A (0.65) HTR2AHTR1AHTR1BHTR6MTNR1B
SCHEMBL27191685 0.85 HTR1A (0.65) HTR2AHTR1AHTR1BHTR6MTNR1B
SCHEMBL11524016 0.81 ALDH1A1 (0.55) HTR1AHTR6MTNR1BHTR1DMAPT
SCHEMBL26508885 0.81 HTR2A (0.64) HTR2AHTR1AHTR1BHTR6MTNR1B
SCHEMBL32669413 0.81 HTR2A (0.67) HTR2AHTR1AHTR1BHTR6HTR1D
SCHEMBL32669310 0.79 HTR2A (1.00) HTR2AHTR1AHTR1BHTR6HTR1D
SCHEMBL11519836 0.79 ALDH1A1 (0.55) HTR1AHTR1BHTR6MTNR1BHTR1D
SCHEMBL26508872 0.79 HTR2A (0.67) HTR2AHTR1AHTR1BHTR6MTNR1B
SCHEMBL24723815 0.78 HTR2A (0.97) HTR2AHTR1AHTR1BHTR6HTR1D
SCHEMBL29633130 0.78 HTR2A (0.97) HTR2AHTR1AHTR1BHTR6HTR1D

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-4160862-A ANTIINFLAMMATORY STERLING DRUG INC. (US) 1979-07-10 US disclosed
US-4021431-A ANTIINFLAMMATORY AGENTS STERLING DRUG INC. (US) 1977-05-03 US disclosed