SCHEMBL7312812

SCHEMBL7312812

C=CCN1C(=O)CCc2c(OCCCc3nnnn3Cc3ccccc3)cccc21

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.40
ALDH1A1 P00352 6/20 0.35
GAA P10253 2/20 0.34
TSHR P16473 2/20 0.34
POLB P06746 1/20 0.34
ALOX15 P16050 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL7317306 0.87 HSD11B1 (0.39) HTR6ALDH1A1TSHRMEN1KMT2A
SCHEMBL7312016 0.84 HRH3 (0.40) ALDH1A1GAATSHRMEN1KMT2A
SCHEMBL11070246 0.72 DRD4 (0.55) ALDH1A1MEN1KMT2A
SCHEMBL7317014 0.72 MAOA (0.41) ALDH1A1GAATSHRPOLBALOX15
SCHEMBL10567416 0.71 SIGMAR1 (0.54)
SCHEMBL11362472 0.70 HTR6 (0.41) HTR6GAATSHRKMT2ALOXL2
SCHEMBL7312087 0.69 MCL1 (0.39) ALDH1A1GAATSHRALOX15MEN1
SCHEMBL7307694 0.68 PDE3B (0.45) ALDH1A1TSHRALOX15MEN1KMT2A
SCHEMBL7307700 0.68 PDE3B (0.45) ALDH1A1TSHRALOX15MEN1KMT2A
SCHEMBL15110117 0.68 ALDH1A1 (0.48) ALDH1A1TSHRMEN1KMT2A

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-4277479-A ANTI-ASTHMATIC, HYPOTENSIVE, ANTI-ULCER, ANTIINFLAMMATORY, VASODILATION, ENZYME INHIBITORS, ANTICOAGULANTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-07-07 US disclosed