SCHEMBL8206483

SCHEMBL8206483

N#CC(c1ccccc1)(c1ccccc1)C1CCC(N2CCN(Cc3ccccc3)CC2)C1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.49
CCR3 P51677 2/20 0.47
TRPV6 Q9H1D0 5/20 0.44
SIGMAR1 Q99720 1/20 0.43
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 1/20 0.41
DRD4 P21917 2/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
KCNH2 Q12809 1/20 0.40
ACHE P22303 1/20 0.40
HRH1 P35367 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
SCHEMBL8205475 0.83 CHRM3 (0.44) KCNA3TSHR
SCHEMBL4186493 0.82 KCNA3 (0.55) KCNA3CCR3SIGMAR1DRD4DRD2
Hydrochloric Acid SCHEMBL10360726 0.81 KCNA3 (0.53) KCNA3CCR3SIGMAR1DRD4DRD2
SCHEMBL956111 0.77 KCNA3 (0.49) KCNA3CCR3SIGMAR1DRD4DRD2
SCHEMBL956109 0.77 KCNA3 (0.49) KCNA3CCR3SIGMAR1DRD4DRD2
SCHEMBL8206412 0.77 ACHE (0.43) TRPV6RECQLSMN1; SMN2ACHE
SCHEMBL11235320 0.76 KCNA3 (0.50) KCNA3CCR3SIGMAR1DRD2DRD3
Hydrochloric Acid SCHEMBL954583 0.76 KCNA3 (0.48) KCNA3CCR3SIGMAR1DRD4DRD2
Hydrochloric Acid SCHEMBL954585 0.76 KCNA3 (0.48) KCNA3CCR3SIGMAR1DRD4DRD2
SCHEMBL4797625 0.76 SIGMAR1 (0.69) CCR3TRPV6SIGMAR1RECQLSMN1; SMN2

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-0999205-A1 AMINOCYCLOALKANE COMPOUNDS Mitsubishi-Tokyo Pharmaceuticals, Inc. (JP) 2000-05-10 EP disclosed