SCHEMBL7735957

SCHEMBL7735957

CN(C)CC(C(O)c1ccc(N)cc1)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 7/20 0.57
ADRA1A P35348 6/20 0.57
ADRA2A P08913 5/20 0.57
HTR2A P28223 5/20 0.57
GRIN1 Q05586 5/20 0.57
HTR2B P41595 4/20 0.57
SIGMAR1 Q99720 3/20 0.57
GRIN2D O15399 3/20 0.57
GRIN2A Q12879 3/20 0.57
GRIN2C Q14957 3/20 0.57
CYP1A2 P05177 3/20 0.57
HTR1A P08908 2/20 0.57
MTOR P42345 2/20 0.57
GRIN3B O60391 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2D6 P10635 2/20 0.57
GRIN3A Q8TCU5 2/20 0.57
LMNA P02545 2/20 0.57
ADRB1 P08588 1/20 0.57
DRD2 P14416 1/20 0.57

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
SCHEMBL7734279 0.84 LMNA (0.56) GRIN2BADRA1AADRA2AHTR2AGRIN1
SCHEMBL7734180 0.83 GRIN2B (0.80) GRIN2BADRA1AADRA2AHTR2AGRIN1
SCHEMBL7735965 0.82 DRD4 (0.56) GRIN2BADRA1AADRA2AHTR2AGRIN1
SCHEMBL7733055 0.81 GRIN2B (0.44) GRIN2BADRA1AADRA2AHTR2AGRIN1
SCHEMBL7734147 0.79 CCR3 (0.49) GRIN2BADRA1AADRA2AHTR2AGRIN1
SCHEMBL10735593 0.74 GRIN2B (0.85) GRIN2BADRA1AADRA2AHTR2AGRIN1
SCHEMBL7723306 0.73 LMNA (0.55) GRIN2BADRA1AADRA2AHTR2AGRIN1
(R,S)-Ifenprodil SCHEMBL12618846 0.72 GRIN2B (1.00) GRIN2BADRA1AADRA2AHTR2AGRIN1
(R,S)-Ifenprodil SCHEMBL21614195 0.72 GRIN2B (1.00) GRIN2BADRA1AADRA2AHTR2AGRIN1
SCHEMBL10729816 0.72 GRIN2B (0.81) GRIN2BADRA1AADRA2AHTR2AGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6407122-B1 NEUROPROTECTIVE AGENTS, ANTIISCHEMIC, AND HYPERGLYCEMIC AGENTS; HUNTINGTON*S, PARKINSON*S, AND ALZHEIMER*S DISEASE;AMYOTROPHIC LATERAL SCLEROSIS TREATMENT; NERVOUS SYSTEM AND BRAIN DISORDERS PHARMACIA & UPJOHN S.P.A. (IT) 2002-06-18 US disclosed