SCHEMBL7670307

SCHEMBL7670307

CCCCn1cnc2c(OCC)nc(NCc3ccc(OC)cc3)nc21

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 5/20 0.62
▸ TLR9 Q9NR96 4/20 0.58
▸ TLR7 Q9NYK1 3/20 0.58
▸ CCNE2 O96020 4/20 0.52
▸ CCNE1 P24864 4/20 0.52
▸ CDK2 P24941 4/20 0.52
▸ TDP1 Q9NUW8 1/20 0.49
▸ TMIGD3 P0DMS9 1/20 0.48
▸ ADORA2A P29274 1/20 0.48
▸ ADORA1 P30542 1/20 0.48
▸ MAPT P10636 1/20 0.48

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
SCHEMBL7672785 0.80 PDGFRA (0.48) CTSLCCNE1CDK2MAPT
SCHEMBL7674300 0.80 CTSL (0.50) CTSLTLR9TLR7CCNE2CCNE1
SCHEMBL7673595 0.78 KDM4E (0.45) CTSLCCNE1CDK2TDP1MAPT
SCHEMBL7668634 0.76 CCNE1 (0.54) CTSLCCNE2CCNE1CDK2TMIGD3
SCHEMBL7661594 0.76 CDK2 (0.43) CTSLCCNE1CDK2
SCHEMBL6944109 0.74 CCNE2 (0.76) CTSLCCNE2CCNE1CDK2TDP1
SCHEMBL7667683 0.74 CCNE1 (0.55) CTSLCCNE1CDK2
SCHEMBL5462682 0.74 CTSL (0.59) CTSLTLR9TLR7CCNE2CCNE1
SCHEMBL22401485 0.74 TLR9 (1.00) TLR9TLR7
SCHEMBL7666120 0.73 PDGFRA (0.49) CTSLCCNE1CDK2MAPT

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-6414147-B1 DIAGNOSIS AND TREATMENT OF ANXIETY, DEPRESSION, SLEEP AND SEIZURE DISORDERS, DOWN'S SYNDROME, OVERDOSE WITH BENZODIAZEPINE DRUGS, AND FOR ENHANCEMENT OF MEMORY NEUROGEN CORPORATION 2002-07-02 — — US claimed
US-6414147-B1 DIAGNOSIS AND TREATMENT OF ANXIETY, DEPRESSION, SLEEP AND SEIZURE DISORDERS, DOWN'S SYNDROME, OVERDOSE WITH BENZODIAZEPINE DRUGS, AND FOR ENHANCEMENT OF MEMORY NEUROGEN CORPORATION 2002-07-02 — — US disclosed
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