SCHEMBL7666365

SCHEMBL7666365

CCCCn1cnc2c(OCC)nc(Nc3ccc(C)cc3C)nc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 6/20 0.41
▸ PDGFRA P16234 7/20 0.38
▸ CCNE1 P24864 7/20 0.38
▸ CDK2 P24941 7/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CRHR1 P34998 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ALOX15 P16050 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 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
SCHEMBL7672785 0.81 PDGFRA (0.48) CTSLPDGFRACCNE1CDK2NPC1
SCHEMBL7675152 0.80 PDGFRA (0.43) CTSLPDGFRACCNE1CDK2ADORA2A
SCHEMBL7668634 0.80 CCNE1 (0.54) CTSLPDGFRACCNE1CDK2ADORA2A
SCHEMBL7667683 0.78 CCNE1 (0.55) CTSLPDGFRACCNE1CDK2NPC1
SCHEMBL7668440 0.77 CCNE1 (0.51) PDGFRACCNE1CDK2ADORA2A
SCHEMBL7672318 0.76 PDE1A (0.43) CTSLPDGFRACCNE1CDK2HTT
SCHEMBL7666287 0.76 PDGFRA (0.41) CTSLPDGFRACCNE1CDK2ADORA2A
SCHEMBL7664310 0.75 CDK2 (0.42) CTSLPDGFRACCNE1CDK2RAB9A
SCHEMBL7667689 0.75 KCNH3 (0.46) CTSLPDGFRACCNE1CDK2
SCHEMBL7670452 0.75 LRRK2 (0.38) PDGFRACCNE1CDK2HDAC3HDAC4

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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