SCHEMBL3880938

SCHEMBL3880938

Clc1ccccc1-c1nnnn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD11B1 P28845 5/20 0.45
P2RX7 Q99572 5/20 0.43
KCNN4 O15554 4/20 0.43
AGTR1 P30556 1/20 0.41
AGTR2 P50052 1/20 0.41
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNA3 P22001 1/20 0.37

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
SCHEMBL8698703 0.84 AGTR1 (0.47) ALDH1A1LMNASMN1; SMN2KCNN4AGTR1
SCHEMBL3838617 0.83 AGTR1 (0.41) ALDH1A1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL13369361 0.81 AGTR1 (0.39) ALDH1A1LMNASMN1; SMN2P2RX7KCNN4
SCHEMBL2447241 0.81 KCNN4 (0.43) ALDH1A1LMNASMN1; SMN2HSD11B1P2RX7
SCHEMBL9272605 0.80 KCNN4 (0.49) ALDH1A1NPC1RAB9ASMN1; SMN2P2RX7
SCHEMBL635 0.79 AGTR1 (0.51) ALDH1A1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL30956037 0.79 AGTR1 (0.51) ALDH1A1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL1196906 0.79 HSD11B1 (0.38) ALDH1A1LMNAHSD11B1AGTR1AGTR2
SCHEMBL29792716 0.79 HSD11B1 (0.38) ALDH1A1LMNAHSD11B1AGTR1AGTR2
SCHEMBL976147 0.78 LMNA (0.47) ALDH1A1LMNASMN1; SMN2HSD11B1P2RX7

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
EP-1833801-B9 INTERMEDIATE COMPOUNDS FOR THE PREPARATION OF ANGIOTENSIN II RECEPTOR ANTAGONISTS ALGRY QUIMICA S L (ES) 2009-02-25 EP disclosed
EP-1833801-B1 INTERMEDIATE COMPOUNDS FOR THE PREPARATION OF ANGIOTENSIN II RECEPTOR ANTAGONISTS ALGRY QUIMICA S L (ES) 2008-06-04 EP disclosed