SCHEMBL8926472

SCHEMBL8926472

CC(c1c[nH]c2ccc(Nc3ccccc3[N+](=O)[O-])cc12)C1CCCN1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.43
▸ GABRP O00591 1/20 0.42
▸ GABRD O14764 1/20 0.42
▸ GABRA1 P14867 1/20 0.42
▸ GABRB1 P18505 1/20 0.42
▸ GABRG2 P18507 1/20 0.42
▸ GABRB3 P28472 1/20 0.42
▸ GABRA5 P31644 1/20 0.42
▸ GABRA3 P34903 1/20 0.42
▸ GABRA2 P47869 1/20 0.42
▸ GABRB2 P47870 1/20 0.42
▸ GABRA4 P48169 1/20 0.42
▸ GABRE P78334 1/20 0.42
▸ GABRA6 Q16445 1/20 0.42
▸ GABRG1 Q8N1C3 1/20 0.42
▸ GABRG3 Q99928 1/20 0.42
▸ GABRQ Q9UN88 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.40
▸ TDP1 Q9NUW8 3/20 0.38
▸ MAPK1 P28482 2/20 0.38

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
SCHEMBL4383256 0.73 GPR84 (0.50) MAPK1ALDH1A1MEN1MAPTKMT2A
SCHEMBL5172958 0.73 GPR84 (0.50) MAPK1ALDH1A1MEN1MAPTKMT2A
SCHEMBL772622 0.73 GPR84 (0.50) MAPK1ALDH1A1MEN1MAPTKMT2A
SCHEMBL8208352 0.72 HTR1D (0.40) MAPTHTR6SMN1; SMN2
SCHEMBL8507170 0.72 HTR1D (0.43) HTR6
SCHEMBL9287650 0.71 HTR1D (0.42) HTR6CYP2C19
SCHEMBL8209090 0.71 SLC6A4 (0.50) —
SCHEMBL8209129 0.71 SLC6A4 (0.43) MAPK1ALDH1A1KMT2A
SCHEMBL9287655 0.71 HTR1D (0.42) HTR6CYP2C19
SCHEMBL774639 0.71 SLC6A4 (0.43) ALDH1A1GAAMEN1MAPTKMT2A

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-5639752-A SEROTONIN AGONIST PFIZER INC (US) 1997-06-17 — — US disclosed
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