SCHEMBL9849679

SCHEMBL9849679

CC(C)CO[C@H](N)C(=O)NC(CC1CCCCC1)[C@@H](O)c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.42
METAP1 P53582 2/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
REN P00797 12/20 0.41
CCR1 P32246 5/20 0.41
CTSD P07339 1/20 0.40
CTSE P14091 1/20 0.40

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
SCHEMBL9849682 1.00 METAP2 (0.42) METAP2METAP1PSEN1PSEN2APH1B
SCHEMBL7278377 0.86 PSEN1 (0.46) METAP2METAP1PSEN1PSEN2APH1B
SCHEMBL7278381 0.86 PSEN1 (0.46) METAP2METAP1PSEN1PSEN2APH1B
SCHEMBL9725888 0.79 REN (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9749328 0.78 REN (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9725818 0.77 REN (0.53) RENCTSDCTSE
SCHEMBL9725812 0.77 REN (0.53) RENCTSDCTSE
SCHEMBL9725825 0.77 REN (0.53) RENCTSDCTSE
SCHEMBL9739264 0.77 REN (0.53) RENCTSDCTSE
SCHEMBL7277030 0.76 REN (0.40) METAP2METAP1RENCTSD

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
EP-0427939-A2 Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1991-05-22 EP disclosed