SCHEMBL7298477

SCHEMBL7298477

Clc1ccc2c(c1)[CH]CCO2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.40
MAP3K14 Q99558 3/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HTT P42858 1/20 0.38
MAOB P27338 1/20 0.38
MAPT P10636 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTR2C P28335 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL9584121 0.80 MAPT (0.46) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL3195006 0.76 TSHR (0.32) POLB
SCHEMBL9585546 0.76 FABP6 (0.41) NPC1RAB9AMAOBMAPTKDM4E
SCHEMBL2350606 0.76 MAPT (0.50) AHRMEN1KMT2ANPC1RAB9A
SCHEMBL7289615 0.72 CA12 (0.41) NPC1RAB9AMAPTALDH1A1
SCHEMBL7297786 0.72 MAPT (0.38) KMT2ANPC1RAB9AMAPTKDM4E
SCHEMBL21994804 0.72
SCHEMBL9586825 0.72 MTNR1A (0.42) NPC1RAB9AMAOBMAPTKDM4E
SCHEMBL1492678 0.72 PARP1 (0.41) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL3072209 0.72 MAOB (0.56) AHRMAP3K14MEN1KMT2ANPC1

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-5260444-A Cardiovascular, hypotensive WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1993-11-09 US disclosed
US-5208245-A Hypotensive agents WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1993-05-04 US disclosed
EP-0460418-A2 Novel Dihydropyridine derivative WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1991-12-11 EP disclosed