SCHEMBL9602598

SCHEMBL9602598

CN1C2CCC1CC(NC(=O)ON1CCc3cc([N+](=O)[O-])ccc31)C2

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.45
POLB P06746 1/20 0.43
MAPT P10636 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 2/20 0.42
DPP4 P27487 1/20 0.42
HTT P42858 1/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR2C P28335 1/20 0.39

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
SCHEMBL9602198 0.92 DRD2 (0.46) DRD2SIRT2POLBMAPTALDH1A1
SCHEMBL9601571 0.84 MEN1 (0.51) MAPTCYP3A4CYP2C19
SCHEMBL9601933 0.84 HTR3A (0.45)
SCHEMBL7267592 0.83 HTR2C (0.52) DRD2SIRT2POLBMAPTCYP3A4
SCHEMBL9602833 0.83 HTR3A (0.48) ALDH1A1DPP4
SCHEMBL9602248 0.82 MEN1 (0.43) POLBCYP3A4ALDH1A1NPC1MAPK1
SCHEMBL9602370 0.78 SMN1; SMN2 (0.48) POLBMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7267829 0.77 DRD2 (0.44) DRD2POLBNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7434439 0.76 DRD2 (0.43) DRD2POLBNPC1RAB9ASMN1; SMN2
SCHEMBL27660153 0.72 SIRT2 (0.50) SIRT2POLBMAPTCYP3A4CYP2C9

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
EP-0247266-B1 INDOLE DERIVATIVES HAVING AN AZABICYCLIC SIDE CHAIN, PROCESS FOR THEIR PREPARATION, INTERMEDIATES, AND PHARMACEUTICAL COMPOSITIONS BEECHAM GROUP PLC (GB) 1993-03-10 EP claimed