SCHEMBL9494031

SCHEMBL9494031

CCc1cc(NCc2ccc(-c3ccccc3-c3nnnn3-c3ccc([N+](=O)[O-])cc3)cc2)c(-c2ccc(C)cc2)c(CC)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.59
AGTR2 P50052 6/20 0.59
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GHSR Q92847 2/20 0.42
PTGS2 P35354 1/20 0.40
RAB9A P51151 1/20 0.36
CYP3A4 P08684 2/20 0.36
MAPT P10636 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35

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
SCHEMBL9495156 0.89 AGTR1 (0.56) AGTR1AGTR2PKMSMN1; SMN2GHSR
SCHEMBL9495389 0.89 AGTR1 (0.49) AGTR1AGTR2PKMSMN1; SMN2GHSR
SCHEMBL9494023 0.82 SMN1; SMN2 (0.43) AGTR1AGTR2PKMSMN1; SMN2PTGS2
SCHEMBL7286364 0.78 SMN1; SMN2 (0.68) PKMSMN1; SMN2PTGS2RAB9AMAPT
SCHEMBL9347486 0.76 PKM (0.43) AGTR1PKMSMN1; SMN2PTGS2CYP3A4
SCHEMBL9495386 0.75 SMN1; SMN2 (0.41) AGTR1AGTR2PKMSMN1; SMN2PTGS2
SCHEMBL9495149 0.74 SMN1; SMN2 (0.45) AGTR1AGTR2PKMSMN1; SMN2PTGS2
SCHEMBL9139431 0.74 AGTR1 (0.54) AGTR1AGTR2PKMSMN1; SMN2
SCHEMBL9140759 0.73 SMN1; SMN2 (0.64) PKMSMN1; SMN2PTGS2MAPTALDH1A1
SCHEMBL7284502 0.72 SMN1; SMN2 (0.62) PKMSMN1; SMN2PTGS2MAPTALDH1A1

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-5236937-A Treating hypertension, congestive heart failure IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-17 US disclosed
EP-0499415-A1 Pyridine and quinoline derivatives, processes for their manufacture and their use as angiotensin II antagonists ZENECA LIMITED (GB) 1992-08-19 EP disclosed