SCHEMBL8533774

SCHEMBL8533774

Cc1ccc(C2[CH]CCCN2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
PRCP P42785 1/20 0.38
GID4 Q8IVV7 1/20 0.37
KDM1A O60341 1/20 0.35
MKNK1 Q9BUB5 1/20 0.33
GFER P55789 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ACHE P22303 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL7480391 0.81 PRCP (0.38) PRCPKDM1AATMTDP1HTR2A
SCHEMBL8900994 0.80 ADRA2C (0.44) GID4KDM1ATDP1
SCHEMBL6227686 0.80 SLC18A3 (0.38) PRCPCYP1A2CYP2D6CYP2C19HTR2B
SCHEMBL472003 0.80 SLC18A3 (0.38) PRCPCYP1A2CYP2D6CYP2C19HTR2B
SCHEMBL8531187 0.78 ABCC9 (0.34)
SCHEMBL14931991 0.77 HTR2C (0.46) MAPTKDM1ANPSR1CYP1A2CYP3A4
SCHEMBL8530413 0.77 HTR2C (0.46) MAPTKDM1ANPSR1CYP1A2CYP3A4
SCHEMBL8530406 0.76 SLC6A2 (0.35)
SCHEMBL8531757 0.73 KDM1A (0.37) KDM1AHTR2AHTR2CHTR2B
SCHEMBL6002726 0.69 MAOB (0.34) MAPTACHEHTR2CHTR2B

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-5843966-A Piperidine derivatives GLAXO GROUP LIMITED (GB) 1998-12-01 US disclosed
US-5703240-A ANALGESICS; ANTIINFLAMMATORY AGENTS; NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS; GASTROINTESTINAL DISORDERS GLAXO GROUP LIMITED (GB) 1997-12-30 US disclosed