SCHEMBL7228945

SCHEMBL7228945

COC(=O)c1ccc(OCc2ccc(-c3ccccc3)cc2)nc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 8/20 0.61
MAPT P10636 1/20 0.53
RAB9A P51151 1/20 0.53
CHRNB2 P17787 1/20 0.50
CHRNA7 P36544 1/20 0.50
CHRNA4 P43681 1/20 0.50
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.50
PKM P14618 1/20 0.50
CXCR2 P25025 1/20 0.50
SMPD1 P17405 1/20 0.49

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
SCHEMBL246555 0.92 GABRA5 (0.60) GABRA5CHRNB2CHRNA7CHRNA4LMNA
SCHEMBL6030328 0.90 GABRA5 (0.53) GABRA5MAPTRAB9ACHRNB2CHRNA7
SCHEMBL7230242 0.86 MAPT (0.56) GABRA5MAPTCXCR2SMPD1
SCHEMBL1462223 0.84 GABRA5 (0.61) GABRA5MAPTRAB9ALMNACXCR2
SCHEMBL1255787 0.84 NPC1 (0.55) GABRA5MAPTRAB9ANPC1LMNA
SCHEMBL27395439 0.81 RAB9A (0.68) MAPTRAB9ANPC1LMNA
SCHEMBL6339006 0.80 OPRM1 (0.57) MAPTRAB9ANPC1LMNA
SCHEMBL20830743 0.79 CHRNB2 (0.61) MAPTRAB9ACHRNB2CHRNA7CHRNA4
SCHEMBL1462208 0.79 GABRA5 (0.60) GABRA5LMNA
SCHEMBL7229900 0.79 ALOX5 (0.56) GABRA5CXCR2

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-6586475-B1 5-chloro-N-(2-N,N-diethylamino)ethyl)-2- methoxy-4-(1-naphthoylamino)benzamide and prodrugs, used for prevention of neurodegenarative diseases such as Alzheimer's disease TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-07-01 US disclosed
EP-1132376-A1 BETA-AMYLOID PROTEIN PRODUCTION/SECRETION INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2001-09-12 EP disclosed