SCHEMBL11277982

SCHEMBL11277982

Cc1ccc2[nH]c3c(c2c1)CCNC3CC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 8/20 0.60
KMT2A Q03164 1/20 0.58
HTR2A P28223 5/20 0.57
HTR2C P28335 5/20 0.57
HTR2B P41595 2/20 0.56
SIRT1 Q96EB6 1/20 0.55
MAPKAPK2 P49137 1/20 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
SCHEMBL11314589 0.86 KMT2A (0.77) S1PR1KMT2AHTR2AHTR2CHTR2B
SCHEMBL30397112 0.85 HTR2A (0.70) S1PR1HTR2AHTR2CHTR2BSIRT1
SCHEMBL28961219 0.85 HTR2A (0.70) S1PR1HTR2AHTR2CHTR2BSIRT1
SCHEMBL6237686 0.85 KMT2A (0.76) S1PR1KMT2AHTR2AHTR2CHTR2B
SCHEMBL5538606 0.85 HTR2A (0.62) HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL6350788 0.84 KMT2A (0.77) S1PR1KMT2AHTR2AHTR2CHTR2B
SCHEMBL11278643 0.82 S1PR1 (0.74) S1PR1KMT2AHTR2AHTR2CMAPKAPK2
SCHEMBL3246180 0.82 GRIN2B (0.67) S1PR1HTR2AHTR2CMAPKAPK2
SCHEMBL6238971 0.81 MAPKAPK2 (0.74) HTR2AHTR2CHTR2BSIRT1MAPKAPK2
SCHEMBL25147653 0.80 SIRT1 (0.60) S1PR1SIRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4336256-A TREATMENT OF ANOXIA, DEPRESSION AND IN PSYCHOTROPIC THERAPY SYNTHELABO (FR) 1982-06-22 US disclosed