SCHEMBL7678306

SCHEMBL7678306

CCCCN(CCCC)C(CC)Oc1ccc(C(=O)c2cnc3ccccn23)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.52
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EPHB3 P54753 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 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
SCHEMBL7677866 0.87 NPC1 (0.54) ADORA2ANPC1RAB9AKDM4EALOX15
SCHEMBL7316592 0.86 PKM (0.42) ADORA2AALOX15
Hydrochloric Acid SCHEMBL7317675 0.85 PKM (0.44) ADORA2AALOX15
SCHEMBL7680781 0.85 HRH3 (0.39) ADORA2ATP53SMN1; SMN2ALOX15
SCHEMBL7680441 0.85 ADORA2A (0.50) ADORA2AALOX15
SCHEMBL7680843 0.85 HRH3 (0.36) ADORA2ANPC1RAB9AALOX15
SCHEMBL7678308 0.82 ADORA2A (0.56) ADORA2ANPC1RAB9A
SCHEMBL7678155 0.82 PSEN1 (0.41) ADORA2A
SCHEMBL7319679 0.81 ALOX15 (0.35) ADORA2ANPC1RAB9ATP53SMN1; SMN2
Hydrochloric Acid SCHEMBL7319888 0.80 ALOX15 (0.35) ADORA2ANPC1RAB9ATP53SMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6489337-B1 TREATMENT OF ALZHEIMER'S DISEASE, EPILEPSY, EATING DISORDERS, LEARNING AND MEMORY DISORDERS, MIGRAINE, SLEEP/WAKE DISORDERS, ALLERGIC RHINITIS, SCHIZOPHRENIA, MILD COGNITIVE IMPAIRMENT, AND ASTHMA ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-12-03 US disclosed
WO-2001074813-A2 METHOD FOR USING 2- OR 3-ARYL SUBSTITUTED IMIDAZO[1,2-a] PYRIDINES AS H3 ANTAGONISTS ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2001-10-11 WO disclosed
US-4871745-A LOCAL ANESTHETICS ORTHO PHARMACEUTICAL CORPORATION (US) 1989-10-03 US disclosed
US-4791117-A LOCAL ANTESTHETICS, ANTISECRETORY AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1988-12-13 US disclosed
US-4727145-A LOCAL ANESTHETICS ORTHO PHARMACEUTICAL CORPORATION (US) 1988-02-23 US disclosed