SCHEMBL7367047

SCHEMBL7367047

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

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.55
CCR1 P32246 5/20 0.50
METAP2 P50579 4/20 0.44
METAP1 P53582 3/20 0.44
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
MMP14 P50281 1/20 0.42
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
Hydrochloric Acid SCHEMBL9876283 0.99 REN (0.54) RENCCR1METAP2METAP1MMP1
Hydrochloric Acid SCHEMBL27692376 0.99 REN (0.54) RENCCR1METAP2METAP1MMP1
SCHEMBL4065186 0.91 REN (0.55) RENCCR1METAP2METAP1ALDH1A1
SCHEMBL4067962 0.90 REN (0.53) RENCCR1METAP2METAP1ALDH1A1
Hydrochloric Acid SCHEMBL7360375 0.89 REN (0.54) RENCCR1METAP2METAP1ALDH1A1
Hydrochloric Acid SCHEMBL10676905 0.89 REN (0.54) RENCCR1METAP2METAP1ALDH1A1
Hydrochloric Acid SCHEMBL27673691 0.89 REN (0.54) RENCCR1METAP2METAP1ALDH1A1
SCHEMBL7583549 0.86 REN (0.41) RENCCR1METAP2METAP1MMP1
SCHEMBL9684516 0.85 REN (0.69) RENMETAP2METAP1ALDH1A1KMT2A
SCHEMBL4073025 0.85 REN (0.52) RENCCR1METAP2METAP1ALDH1A1

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
WO-1988003022-A1 RELATIVELY LOW MOLECULAR WEIGHT POLYPEPTIDES AS RENIN INHIBITORS PFIZER INC. (US) 1988-05-05 WO disclosed