SCHEMBL5950191

SCHEMBL5950191

CCCCCCCCCCCCCCCNCc1ccccc1.CCCCCCCCCCCCCCNCc1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.80
▸ CHRM2 P08172 1/20 0.77
▸ SIGMAR1 Q99720 4/20 0.69
▸ HRH4 Q9H3N8 1/20 0.69
▸ HRH3 Q9Y5N1 1/20 0.69
▸ LMNA P02545 1/20 0.66
▸ SMN1; SMN2 Q16637 1/20 0.65
▸ CYP1A2 P05177 3/20 0.63
▸ CYP2D6 P10635 3/20 0.63
▸ CYP2C19 P33261 3/20 0.63
▸ MEN1 O00255 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ TDP1 Q9NUW8 1/20 0.61
▸ CNR1 P21554 1/20 0.57
▸ CNR2 P34972 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
SCHEMBL2890583 1.00 MAOA (0.80) MAOACHRM2SIGMAR1HRH4HRH3
SCHEMBL2887852 1.00 MAOA (0.80) MAOACHRM2SIGMAR1HRH4HRH3
SCHEMBL1692071 1.00 MAOA (0.80) MAOACHRM2SIGMAR1HRH4HRH3
SCHEMBL2882451 1.00 MAOA (0.80) MAOACHRM2SIGMAR1HRH4HRH3
SCHEMBL2889761 1.00 MAOA (0.80) MAOACHRM2SIGMAR1HRH4HRH3
SCHEMBL2748121 1.00 MAOA (0.80) MAOACHRM2SIGMAR1HRH4HRH3
SCHEMBL253468 1.00 MAOA (0.80) MAOACHRM2SIGMAR1HRH4HRH3
SCHEMBL2890107 1.00 MAOA (0.80) MAOACHRM2SIGMAR1HRH4HRH3
SCHEMBL339686 1.00 MAOA (0.80) MAOACHRM2SIGMAR1HRH4HRH3
SCHEMBL2890680 1.00 MAOA (0.80) MAOACHRM2SIGMAR1HRH4HRH3

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-20060021939-A1 Porous materials for solid phase extraction and chromatography and processes for preparation and use thereof WATERS INVESTMENTS LIMITED (US) 2006-02-02 — — US claimed
Send feedback