SCHEMBL7319063

SCHEMBL7319063

O=C(C1CC1c1ccc(C2CCCCC2)c(Cl)c1)N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.44
SIGMAR1 Q99720 4/20 0.43
MEN1 O00255 2/20 0.42
TSHR P16473 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL7322549 0.91 SIGMAR1 (0.48) HRH3SIGMAR1MEN1TSHRKMT2A
SCHEMBL7323139 0.85 HRH3 (0.42) HRH3SIGMAR1MEN1TSHRKMT2A
SCHEMBL7323050 0.85 HRH3 (0.53) HRH3SIGMAR1MEN1TSHRKMT2A
SCHEMBL7315840 0.81 CEL (0.38) SIGMAR1
SCHEMBL7325823 0.81 SIGMAR1 (0.47) HRH3SIGMAR1MEN1TSHRKMT2A
SCHEMBL7312887 0.80 FFAR1 (0.44)
SCHEMBL7323813 0.79 SIGMAR1 (0.46) HRH3SIGMAR1MEN1TSHRKMT2A
Hydrochloric Acid SCHEMBL7315858 0.78 FFAR1 (0.43)
SCHEMBL7316201 0.78 ALDH1A1 (0.47) HRH3SIGMAR1MEN1TSHRKMT2A
SCHEMBL27468862 0.77 HRH3 (0.50) HRH3SIGMAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6235791-B1 USING CIS N-CYCLOHEXYL-N-ETHYL(3-(3-CHLORO-CYCLOHEXYLPHENYL)ALLYL)AMINE SANOFI-SYNTHELABO (FR) 2001-05-22 US disclosed
EP-0917464-A1 USE OF AMINES TO PRODUCE DRUGS FOR PREVENTING TUMOUR CELL PROLIFERATION SANOFI (FR) 1999-05-26 EP disclosed
WO-1998004251-A1 USE OF AMINES TO PRODUCE DRUGS FOR PREVENTING TUMOUR CELL PROLIFERATION SANOFI (FR) 1998-02-05 WO disclosed