SCHEMBL9683816

SCHEMBL9683816

CC(C)[C@H](C[C@H](O)[C@@H](N)CC1CCCCC1)C(=O)NCC(C)(C)CN(C)C

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 18/20 0.48
METAP2 P50579 2/20 0.39
METAP1 P53582 1/20 0.35

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
SCHEMBL7351441 0.83 REN (0.57) RENMETAP2METAP1
SCHEMBL7345478 0.81 REN (0.61) RENMETAP2METAP1
SCHEMBL7315975 0.81 REN (0.61) RENMETAP2METAP1
SCHEMBL8826686 0.80 REN (0.56) RENMETAP2METAP1
SCHEMBL9575386 0.78 REN (0.56) RENMETAP2METAP1
SCHEMBL9858518 0.78 REN (0.56) RENMETAP2METAP1
SCHEMBL9685661 0.78 REN (0.56) RENMETAP2METAP1
SCHEMBL14415380 0.78 REN (0.60) RENMETAP2METAP1
SCHEMBL14420289 0.78 REN (0.60) RENMETAP2METAP1
SCHEMBL7445593 0.78 REN (0.40) RENMETAP2METAP1

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-5091425-A Inhibitors of the catalytic action of renin IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-02-25 US disclosed