SCHEMBL8407620

SCHEMBL8407620

CCC(N1CCN(c2cc(C#N)ccn2)CC1)n1c(=O)[nH]c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.42
▸ PARP1 P09874 2/20 0.40
▸ TNK2 Q07912 1/20 0.40
▸ TNK1 Q13470 1/20 0.40
▸ PANK3 Q9H999 1/20 0.40
▸ POLB P06746 1/20 0.38
▸ HTR7 P34969 1/20 0.37
▸ OPRM1 P35372 2/20 0.36
▸ PGR P06401 1/20 0.36
▸ KCNJ1 P48048 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HCRTR1 O43613 2/20 0.35
▸ HCRTR2 O43614 2/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ DPP4 P27487 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ AKT1 P31749 1/20 0.34

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
SCHEMBL8406460 0.80 DRD4 (0.48) PARP1TNK2TNK1PANK3HTR7
SCHEMBL6844235 0.76 HTR7 (0.60) HTR7OPRM1CYP2C9
SCHEMBL6924625 0.70 HRH3 (0.65) HRH3PARP1TNK2TNK1PANK3
SCHEMBL9854895 0.69 HTR7 (0.38) POLBHTR7OPRM1LRRK2KDM4E
SCHEMBL8407627 0.67 HTR7 (0.41) HRH3PARP1TNK2TNK1PANK3
SCHEMBL10268958 0.66 HRH4 (0.55) HRH3PANK3HTR7CNR2LRRK2
SCHEMBL11283504 0.65 DRD2 (0.44) HTR7
SCHEMBL10986480 0.65 DRD2 (0.45) POLBHTR7OPRM1CYP2C9ABL1
SCHEMBL17843264 0.65 PANK3 (0.51) HRH3PARP1TNK2TNK1PANK3
SCHEMBL10423416 0.65 POLB (0.42) POLBOPRM1CYP2C9CHRM4ABL1

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-5883094-A Benzimidazolone derivatives with central dopaminergic activity PFIZER INC. (US) 1999-03-16 — — US disclosed
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