SCHEMBL9445932

SCHEMBL9445932

CCOP(=O)(Cc1ccccc1CBr)OCC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.41
▸ KCNH2 Q12809 1/20 0.40
▸ EGFR P00533 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ POLB P06746 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ NR1I2 O75469 1/20 0.37
▸ NPY5R Q15761 1/20 0.35
▸ CCNT1 O60563 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 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
SCHEMBL702504 0.91 NPSR1 (0.47) NPSR1KCNH2EGFRTSHRPOLB
SCHEMBL10772790 0.86 NPSR1 (0.39) NPSR1KCNH2EGFRTSHRPOLB
SCHEMBL12212067 0.84 NPSR1 (0.42) NPSR1KCNH2EGFRTSHRPOLB
SCHEMBL10770711 0.83 CYP4F2 (0.39) NPSR1KCNH2EGFRTSHRPOLB
SCHEMBL2008228 0.82 NPSR1 (0.41) NPSR1KCNH2EGFRTSHRPOLB
SCHEMBL916350 0.80 CCNT1 (0.43) NPSR1KCNH2EGFRTSHRPOLB
SCHEMBL25410688 0.79 EGFR (0.40) NPSR1KCNH2EGFRTSHRPOLB
SCHEMBL914783 0.79 TSHR (0.41) TSHRPOLB
SCHEMBL9849219 0.79 NPSR1 (0.41) NPSR1KCNH2EGFRTSHRPOLB
SCHEMBL4538982 0.79 KCNH2 (0.43) NPSR1KCNH2EGFRTSHRPOLB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5179085-A Cerebrovascular disorders WARNER-LAMBERT COMPANY (US) 1993-01-12 — — US disclosed
US-5177240-A Treatment to reduce neurotoxic injury G. D. SEARLE & CO. (US) 1993-01-05 — — US disclosed
EP-0364996-A2 Phosphono-hydroisoquinoline compounds useful in reducing neurotoxic injury G.D. Searle & Co. (US) 1990-04-25 — — EP disclosed
EP-0242709-A2 Antagonists of specific excitatory amino acid neurotransmitter receptors NOVA PHARMACEUTICAL CORPORATION (US) 1987-10-28 — — EP disclosed
WO-1987006131-A1 ANTAGONISTS OF SPECIFIC EXCITATORY AMINO ACID NEUROTRANSMITTER RECEPTORS RZESZOTARSKI JANUSZ WACLAW (US) 1987-10-22 — — WO disclosed
US-4657899-A ANALGESICS, COGNITION ACTIVATORS NOVA PHARMACEUTICAL CORPORATION (US) 1987-04-14 — — US disclosed
Send feedback