SCHEMBL844564

SCHEMBL844564

CN1CCN(C(=O)c2cc3cnc(C(=O)N[C@@H]4CC5CCN(C5)C4)cc3o2)CC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 8/20 0.57
HRH4 Q9H3N8 2/20 0.43
BMPR1B O00238 2/20 0.37
BMPR1A P36894 2/20 0.37
ACVRL1 P37023 2/20 0.37
ACVR1 Q04771 2/20 0.37
TGFBR1 P36897 1/20 0.37
SYK P43405 1/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SMYD3 Q9H7B4 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
SCHEMBL843793 1.00 CHRNA7 (0.57) CHRNA7HRH4BMPR1BBMPR1AACVRL1
SCHEMBL843794 1.00 CHRNA7 (0.57) CHRNA7HRH4BMPR1BBMPR1AACVRL1
SCHEMBL842558 0.95 CHRNA7 (0.62) CHRNA7HRH4HTR3EHTR3BHTR3A
SCHEMBL842557 0.95 CHRNA7 (0.62) CHRNA7HRH4HTR3EHTR3BHTR3A
SCHEMBL844548 0.94 CHRNA7 (0.61) CHRNA7HRH4BMPR1BBMPR1AACVRL1
SCHEMBL844547 0.94 CHRNA7 (0.61) CHRNA7HRH4BMPR1BBMPR1AACVRL1
SCHEMBL842513 0.92 CHRNA7 (0.60) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL843407 0.92 CHRNA7 (0.60) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL843406 0.92 CHRNA7 (0.60) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL842512 0.92 CHRNA7 (0.60) CHRNA7HTR3EHTR3BHTR3AHTR3D

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-1432707-B1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN CO LLC (US) 2012-03-28 EP claimed