SCHEMBL7998560

SCHEMBL7998560

CCN1CCc2ncc(N)cc2C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.45
RECQL P46063 1/20 0.45
MAPT P10636 4/20 0.41
LMNA P02545 5/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ACKR3 P25106 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
DRD2 P14416 1/20 0.38
KCNH2 Q12809 1/20 0.38
KMT2A Q03164 1/20 0.37
HRH3 Q9Y5N1 2/20 0.36
HSP90AB1 P08238 1/20 0.36
PNMT P11086 1/20 0.36

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
SCHEMBL2079889 0.90 DRD2 (0.44) RAD52RECQLMAPTLMNACYP3A4
SCHEMBL19082533 0.87 ATAD2 (0.33) RAD52RECQLMAPTLMNADRD2
SCHEMBL27966943 0.83 L3MBTL1 (0.36) MAPTLMNACYP3A4KMT2A
SCHEMBL29730794 0.81 LMNA (0.43) MAPTLMNADRD2KCNH2HRH3
SCHEMBL1640454 0.81 HSP90AB1 (0.40) RAD52RECQLMAPTLMNAHRH3
SCHEMBL26640900 0.80 DRD2 (0.42) LMNADRD2KMT2A
SCHEMBL26640563 0.80 POLB (0.38) MAPTLMNAKMT2AHSP90AB1
SCHEMBL29520297 0.80 CYP2C19 (0.44) MAPTLMNAKMT2A
SCHEMBL3440728 0.80 CYP2C19 (0.44) MAPTLMNAKMT2A
SCHEMBL6772037 0.78 MEN1 (0.60) MAPTDRD2KCNH2KMT2A

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-6294566-B1 ENANTIOMORPHS REVERSE AND ADRENERGIC AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-09-25 US disclosed
US-6093727-A A SELECTIVE AGONISTS FOR HUMAN ALPHA 2 RECEPTORS FOR TREATING DISORDERS AS HYPERTENSION, PAIN, GLAUCOMA, ALCOHOL AND DRUG WITHDRAWAL, ISCHEMIA, RHEUMATOID ARTHRITIS, MIGRAINE, COGNITIVE DEFICIENCY, SPASTICITY, DIARRHEA, NASAL CONGESTION SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-07-25 US disclosed