SCHEMBL7668358

SCHEMBL7668358

C=C(C)COc1nc(Nc2ccc(OCC)nc2)nc2c1ncn2CCCC

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 9/20 0.39
CDK2 P24941 9/20 0.39
PDGFRA P16234 8/20 0.39
CTSL P07711 6/20 0.35
NR3C1 P04150 2/20 0.34
CDK1 P06493 1/20 0.34
MAPT P10636 1/20 0.33

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
SCHEMBL7358324 0.95 TMIGD3 (0.38) CCNE1CDK2PDGFRACDK1
SCHEMBL7667620 0.93 PDGFRA (0.41) CCNE1CDK2PDGFRACTSLCDK1
SCHEMBL7666287 0.91 PDGFRA (0.41) CCNE1CDK2PDGFRACTSLNR3C1
SCHEMBL7668491 0.88 CXCR1 (0.40) CCNE1CDK2PDGFRACTSLNR3C1
SCHEMBL7670257 0.87 PDGFRA (0.38) CCNE1CDK2PDGFRACTSLNR3C1
SCHEMBL7674135 0.87 PDGFRA (0.43) CCNE1CDK2PDGFRACTSLNR3C1
SCHEMBL7358385 0.86 CDK2 (0.39) CCNE1CDK2PDGFRACTSLNR3C1
SCHEMBL7672298 0.86 PDGFRA (0.39) CCNE1CDK2PDGFRACTSLNR3C1
SCHEMBL7365457 0.85 PDGFRA (0.39) CCNE1CDK2PDGFRACTSLNR3C1
SCHEMBL7661658 0.85 PDGFRA (0.38) CCNE1CDK2PDGFRACTSLNR3C1

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