SCHEMBL9260446

SCHEMBL9260446

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.37
METAP2 P50579 5/20 0.36
METAP1 P53582 5/20 0.36
SIGMAR1 Q99720 1/20 0.33
CTSK P43235 3/20 0.33
CTSL P07711 2/20 0.32
CTSB P07858 2/20 0.32
CTSH P09668 1/20 0.32
CYP1A2 P05177 1/20 0.31
ALOX5 P09917 1/20 0.30

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
SCHEMBL9831980 0.81 REN (0.37) RENMETAP2METAP1
SCHEMBL10610858 0.81 REN (0.37) RENMETAP2METAP1
SCHEMBL5671311 0.79 REN (0.40) RENMETAP2METAP1CYP1A2
SCHEMBL5670653 0.77 REN (0.38) RENMETAP2METAP1
SCHEMBL9831663 0.77 REN (0.38) RENMETAP2METAP1CTSKCTSL
SCHEMBL9832185 0.77 REN (0.38) RENMETAP2METAP1
SCHEMBL7436405 0.76 REN (0.42) RENMETAP2METAP1CYP1A2
SCHEMBL9833386 0.75 REN (0.40) RENMETAP2METAP1
SCHEMBL7321856 0.75 REN (0.40) RENMETAP2METAP1
SCHEMBL7435879 0.75 REN (0.41) RENMETAP2METAP1CTSKCYP1A2

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
US-5389647-A A prodrugs as hypotensive agents, treating congestive heart failure, urogenital disorders, vision defects ABBOTT LABORATORIES (US) 1995-02-14 US disclosed
US-5244910-A Treating hypertension, congestive heart failure ABBOTT LABORATORIES (US) 1993-09-14 US disclosed