SCHEMBL7412552

SCHEMBL7412552

CC(C)[C@H](C[C@H](O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 10/20 0.60
CTSD P07339 1/20 0.60
CTSE P14091 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 1/20 0.44
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
NPC1 O15118 1/20 0.42

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
SCHEMBL7410615 0.90 KMT2A (0.51) RENCTSDCTSESMN1; SMN2CYP1A2
SCHEMBL7417716 0.82 BACE1 (0.52) RENCTSDCTSEMAPTMAPK1
SCHEMBL7362226 0.82 ALDH1A1 (0.62) RENCTSDCTSESMN1; SMN2CYP1A2
SCHEMBL9497300 0.81 CYP3A4 (0.50) RENSMN1; SMN2CYP1A2ALDH1A1CYP3A4
SCHEMBL7954670 0.81 SMN1; SMN2 (0.50) RENCTSDCTSESMN1; SMN2CYP1A2
SCHEMBL7366909 0.78 SMN1; SMN2 (0.49) RENCTSDCTSESMN1; SMN2CYP1A2
SCHEMBL7361383 0.77 REN (0.63) RENCTSDCTSE
SCHEMBL29611056 0.76 SMN1; SMN2 (0.61) SMN1; SMN2MAPTALDH1A1POLBNPC1
SCHEMBL4678395 0.76 SMN1; SMN2 (0.61) SMN1; SMN2MAPTALDH1A1POLBNPC1
SCHEMBL7412829 0.76 CYP2D6 (0.42) RENCTSDCTSECYP2D6

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 3 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
WO-1992003429-A1 RENIN INHIBITORS ABBOTT LABORATORIES (US) 1992-03-05 WO disclosed