SCHEMBL843606

SCHEMBL843606

O=C(N[C@@H]1C[C@@H]2CCN(C2)C1)c1cc2c(N3CCSCC3)csc2cn1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 9/20 0.58
CHRM4 P08173 4/20 0.34
HTR3A P46098 2/20 0.34
USP30 Q70CQ3 1/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32
ADRA1A P35348 1/20 0.32

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
SCHEMBL843605 1.00 CHRNA7 (0.58) CHRNA7CHRM4HTR3AUSP30HTR3E
SCHEMBL843511 0.93 CHRNA7 (0.60) CHRNA7CHRM4HTR3AUSP30HTR3E
SCHEMBL843510 0.93 CHRNA7 (0.60) CHRNA7CHRM4HTR3AUSP30HTR3E
SCHEMBL843854 0.92 CHRNA7 (0.59) CHRNA7CHRM4HTR3AUSP30
SCHEMBL844262 0.92 CHRNA7 (0.59) CHRNA7CHRM4HTR3AUSP30
SCHEMBL843989 0.90 CHRNA7 (0.59) CHRNA7CHRM4HTR3AADRA1A
SCHEMBL844452 0.90 CHRNA7 (0.57) CHRNA7CHRM4HTR3AUSP30
SCHEMBL842538 0.90 CHRNA7 (0.57) CHRNA7CHRM4HTR3A
SCHEMBL844451 0.90 CHRNA7 (0.57) CHRNA7CHRM4HTR3AUSP30
SCHEMBL842539 0.90 CHRNA7 (0.57) CHRNA7CHRM4HTR3A

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