SCHEMBL9840977

SCHEMBL9840977

C=C1N(C)c2nc(OC)ccc2C1(C)C

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30

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
SCHEMBL6073645 0.81 IDH1 (0.35) HTR2AHTR2CHTR2BMTNR1AMTNR1B
SCHEMBL9505759 0.68 LMNA (0.35)
SCHEMBL6073371 0.61 POLB (0.37) MTNR1AMTNR1B
SCHEMBL31180209 0.60 POLB (0.34) HTR2AHTR2CHTR2BMTNR1AMTNR1B
SCHEMBL16799478 0.59 DRD2 (0.36) HTR2CMTNR1AMTNR1B
SCHEMBL31180129 0.59 POLB (0.33)
SCHEMBL5751466 0.58 HRH4 (0.51)
SCHEMBL8564261 0.58 KDM4E (0.34) HTR2AHTR2CHTR2BMTNR1AMTNR1B
SCHEMBL31180259 0.58 DRD2 (0.38) HTR2AHTR2CHTR2B
SCHEMBL22337647 0.57 MTNR1A (0.50) MTNR1AMTNR1B

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-4986934-A SPIROBENZOXAZINE PYRROLOPYRIDINE COMPOUNDS, EYEGLASSES PPG INDUSTRIES, INC. (US) 1991-01-22 US disclosed