SCHEMBL7269729

SCHEMBL7269729

O=C1N[C@@H](CC2CCCCC2)C(c2ccccn2)O1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
HPGD P15428 2/20 0.36
RECQL P46063 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 2/20 0.34
UTS2R Q9UKP6 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 1/20 0.34
GRM5 P41594 1/20 0.34
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7269724 1.00 NPC1 (0.38) NPC1RAB9ADDB1CRBNHPGD
SCHEMBL7278830 0.76 POLB (0.36) KDM4CKMT2AMEN1GRM5HTT
SCHEMBL7278836 0.76 POLB (0.36) KDM4CKMT2AMEN1GRM5HTT
SCHEMBL7371558 0.75 SMN1; SMN2 (0.43) NPC1RAB9AHPGDRECQLKMT2A
SCHEMBL7371560 0.75 SMN1; SMN2 (0.43) NPC1RAB9AHPGDRECQLKMT2A
SCHEMBL7300104 0.75 ADORA2B (0.40) NPC1HPGDKMT2AALDH1A1KDM4E
SCHEMBL7285419 0.75 ADORA2B (0.40) NPC1HPGDKMT2AALDH1A1KDM4E
SCHEMBL7269604 0.75 ADORA2B (0.40) NPC1HPGDKMT2AALDH1A1KDM4E
SCHEMBL7269607 0.75 ADORA2B (0.40) NPC1HPGDKMT2AALDH1A1KDM4E
SCHEMBL7267634 0.73 HPGD (0.39) NPC1RAB9AHPGDRECQLKDM4C

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-5104869-A Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1992-04-14 US disclosed
EP-0427939-A2 Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1991-05-22 EP disclosed
EP-0376040-A2 N-phosphinyl di-and tripeptides as renin inhibitors AMERICAN CYANAMID COMPANY (US) 1990-07-04 EP disclosed