SCHEMBL7672318

SCHEMBL7672318

CCCCn1cnc2c(OC)nc(Nc3ccccc3OCC)nc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE1A P54750 1/20 0.43
▸ PDE1B Q01064 1/20 0.43
▸ PDE1C Q14123 1/20 0.43
▸ PDGFRA P16234 3/20 0.42
▸ CCNE1 P24864 3/20 0.42
▸ CDK2 P24941 3/20 0.42
▸ GBA1 P04062 2/20 0.42
▸ TSHR P16473 2/20 0.41
▸ CTSL P07711 4/20 0.40
▸ TMIGD3 P0DMS9 2/20 0.39
▸ ADORA2A P29274 2/20 0.39
▸ ADORA1 P30542 2/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ALOX15 P16050 1/20 0.38

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
SCHEMBL7671191 0.94 GBA1 (0.48) PDGFRACCNE1CDK2GBA1CTSL
SCHEMBL7675152 0.87 PDGFRA (0.43) PDGFRACCNE1CDK2CTSLTMIGD3
SCHEMBL7661515 0.85 CCNE1 (0.54) PDGFRACCNE1CDK2CTSLTMIGD3
SCHEMBL7666120 0.84 PDGFRA (0.49) PDGFRACCNE1CDK2TSHRCTSL
SCHEMBL7673595 0.82 KDM4E (0.45) PDGFRACCNE1CDK2CTSLKDM4E
SCHEMBL7672785 0.82 PDGFRA (0.48) PDGFRACCNE1CDK2TSHRCTSL
SCHEMBL7674135 0.82 PDGFRA (0.43) PDGFRACCNE1CDK2CTSLADORA2A
SCHEMBL7672863 0.81 PDGFRA (0.52) PDGFRACCNE1CDK2TMIGD3ADORA2A
SCHEMBL7358873 0.81 CTSL (0.46) PDGFRACCNE1CDK2CTSL
SCHEMBL7668634 0.81 CCNE1 (0.54) PDGFRACCNE1CDK2CTSLTMIGD3

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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