SCHEMBL7678718

SCHEMBL7678718

COc1nc2cc(Cl)c(Cl)c(-c3nnnn3CCO)c2nc1OC

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.37
HRH4 Q9H3N8 1/20 0.33
HSD11B1 P28845 3/20 0.32
MEN1 O00255 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TLR8 Q9NR97 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
PDCD1LG2 Q9BQ51 1/20 0.30
CD274 Q9NZQ7 1/20 0.30

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
SCHEMBL7675078 0.93 CYP1A2 (0.36) CYP1A2HRH4HSD11B1MEN1CYP2C9
SCHEMBL27434416 0.85 CYP1A2 (0.35) CYP1A2HSD11B1MEN1CYP2C9CYP2C19
SCHEMBL7682669 0.84 TRPV1 (0.36) CYP1A2HSD11B1KMT2AALDH1A1
SCHEMBL7673287 0.83 RAB9A (0.49) CYP1A2HRH4SMN1; SMN2
SCHEMBL7681496 0.83 SMN1; SMN2 (0.43) CYP1A2HRH4SMN1; SMN2
SCHEMBL7824628 0.81 P2RX7 (0.33) HRH4
SCHEMBL7676533 0.75 HRH4 (0.36) HRH4SMN1; SMN2
SCHEMBL7680475 0.72 HRH4 (0.36) HRH4
SCHEMBL8784616 0.70 TLR8 (0.35) HRH4ALDH1A1TLR8PDCD1LG2CD274
SCHEMBL8784365 0.70 HRH4 (0.34) HRH4ALDH1A1PDCD1LG2CD274

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-6376490-B1 STRONG N-METHYL-D-ASPARATE RECEPTOR ANTAGONISTS; USEFUL IN TREATING STROKES, ISCHEMIA, AND CENTRAL NERVOUS SYSTEM INJURIES PFIZER INC 2002-04-23 US disclosed
EP-0885212-B1 QUINOXALINEDIONES PFIZER RES AND BR DEV COMPANY (IE) 2001-11-14 EP disclosed