SCHEMBL8535292

SCHEMBL8535292

C1=C(CN2CCNCC2)CCc2cc(N3CCOCC3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.45
TMEM97 Q5BJF2 6/20 0.42
SIGMAR1 Q99720 6/20 0.42
ADRA2A P08913 2/20 0.42
ADRA2B P18089 2/20 0.42
DRD4 P21917 1/20 0.42
HRH1 P35367 1/20 0.42
HTR2B P41595 1/20 0.42
ADRA2C P18825 1/20 0.42
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HTR2C P28335 1/20 0.36
LGMN Q99538 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
SCHEMBL27483127 0.88 TMEM97 (0.47) MCHR1TMEM97SIGMAR1ADRA2AADRA2B
SCHEMBL11589105 0.79 POLB (0.49) MCHR1TMEM97SIGMAR1ADRA2AADRA2B
Hydrochloric Acid SCHEMBL11464568 0.79 SMN1; SMN2 (0.48) MCHR1TMEM97SIGMAR1ADRA2AADRA2B
SCHEMBL8532312 0.79 SIGMAR1 (0.48) TMEM97SIGMAR1ADRA2AADRA2BDRD4
Hydrochloric Acid SCHEMBL11453416 0.76 POLB (0.46) MCHR1TMEM97SIGMAR1ADRA2AADRA2B
SCHEMBL5582800 0.75 MCHR1 (0.52) MCHR1HTR2C
SCHEMBL15093971 0.71 CYP2A13 (0.49) TMEM97SIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL8535295 0.71 SIGMAR1 (0.50) TMEM97SIGMAR1ADRA2AADRA2BDRD4
SCHEMBL15265439 0.70 AGXT (0.56) TMEM97SIGMAR1ADRA2AADRA2BDRD4
SCHEMBL18634226 0.70 CYP2C9 (0.41) TMEM97SIGMAR1ADRA2AADRA2BDRD4

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
US-5847159-A 1- ω-(3,4-dihydro-2-naphthalenyl)alkyl!-cyclic amine derivatives, process for preparing the same, and pharmaceutical composition containing the same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1998-12-08 US disclosed
EP-0825180-A1 1-OMEGA-(3,4-DIHYDRO-2-NAPHTHALENYL)ALKYL] CYCLIC AMINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1998-02-25 EP disclosed