SCHEMBL9726231

SCHEMBL9726231

CCNC(=O)NC[C@@H](C[C@H](O)[C@@H](N)CC1CCCCC1)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.55
METAP2 P50579 7/20 0.44
METAP1 P53582 5/20 0.37
EPHX1 P07099 1/20 0.36
CPB2 Q96IY4 2/20 0.36
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 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
SCHEMBL9726151 0.79 REN (0.48) REN
SCHEMBL9260290 0.79 REN (0.50) RENMETAP2METAP1ALDH1A1KMT2A
SCHEMBL7290532 0.78 REN (0.49) RENMETAP2METAP1ALDH1A1KMT2A
SCHEMBL9726123 0.78 REN (0.60) RENMETAP2METAP1EPHX1CPB2
SCHEMBL7441065 0.77 REN (0.69) RENMETAP2EPHX1ALDH1A1KMT2A
SCHEMBL7436027 0.76 REN (0.52) RENMETAP2METAP1CPB2
SCHEMBL7433023 0.75 REN (0.47) RENMETAP2METAP1ALDH1A1KMT2A
SCHEMBL8826686 0.74 REN (0.56) RENMETAP2METAP1EPHX1CPB2
SCHEMBL9727598 0.74 REN (0.47) RENMETAP2METAP1ALDH1A1KMT2A
SCHEMBL9727591 0.74 REN (0.47) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5147857-A Enzyme inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1992-09-15 US disclosed