SCHEMBL11546296

SCHEMBL11546296

CCCc1ccnc(N2CCNCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.57
ADRB1 P08588 1/20 0.52
PLD1 Q13393 1/20 0.49
NMT1 P30419 7/20 0.48
MAOB P27338 1/20 0.45
HTR6 P50406 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
HRH4 Q9H3N8 3/20 0.45
DYRK1A Q13627 1/20 0.45
OPRM1 P35372 1/20 0.43
OPRL1 P41146 1/20 0.43
PRKD1 Q15139 1/20 0.41
PRKD2 Q9BZL6 1/20 0.41

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
SCHEMBL7363690 0.90 AOC3 (0.54) AOC3ADRB1PLD1NMT1MAOB
SCHEMBL11919149 0.88 ADRB1 (0.55) AOC3ADRB1PLD1NMT1MAOB
Hydrochloric Acid SCHEMBL31061226 0.86 ADRB1 (0.54) AOC3ADRB1PLD1NMT1MAOB
SCHEMBL15621623 0.86 HRH4 (0.49) AOC3HRH4OPRM1OPRL1
SCHEMBL24507651 0.83 HRH4 (0.54) AOC3HTR6HRH3HRH4OPRM1
SCHEMBL13069962 0.82 PIK3CA (0.53) OPRM1OPRL1
SCHEMBL22792040 0.82 HRH3 (0.42) AOC3HRH3HRH4
SCHEMBL2328273 0.81 AOC3 (0.56) AOC3ADRB1PLD1NMT1MAOB
SCHEMBL13361855 0.81 ADRB1 (0.59) AOC3ADRB1PLD1NMT1MAOB
SCHEMBL23630504 0.79 AOC3 (0.60) AOC3ADRB1PLD1NMT1MAOB

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-4167567-A Antihypertensive 4-aminoquinolines THE UPJOHN COMPANY (US) 1979-09-11 US disclosed