SCHEMBL9684516

SCHEMBL9684516

CNC(=O)[C@@H](C)C[C@H](O)[C@@H](N)CC1CCCCC1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.69
METAP2 P50579 9/20 0.46
METAP1 P53582 6/20 0.46
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL9683843 1.00 REN (0.69) RENMETAP2METAP1ALDH1A1KMT2A
SCHEMBL9575386 0.86 REN (0.56) RENMETAP2METAP1ALDH1A1KMT2A
SCHEMBL9858518 0.86 REN (0.56) RENMETAP2METAP1ALDH1A1KMT2A
SCHEMBL9685661 0.86 REN (0.56) RENMETAP2METAP1ALDH1A1KMT2A
SCHEMBL4065186 0.86 REN (0.55) RENMETAP2METAP1ALDH1A1KMT2A
SCHEMBL7367047 0.85 REN (0.55) RENMETAP2METAP1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL7360375 0.84 REN (0.54) RENMETAP2METAP1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL27673691 0.84 REN (0.54) RENMETAP2METAP1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL10676905 0.84 REN (0.54) RENMETAP2METAP1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL9876283 0.84 REN (0.54) RENMETAP2METAP1ALDH1A1KMT2A

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
EP-0504679-A1 New imidazopyridines as serotonergic 5-HT3 antagonists G.D. Searle & Co. (US) 1992-09-23 EP disclosed
US-5091425-A Inhibitors of the catalytic action of renin IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-02-25 US disclosed