SCHEMBL7323813

SCHEMBL7323813

O=C(C1CC1c1ccc(C2CCCCC2)c(Cl)c1)N1CCC(CCc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.46
APP P05067 1/20 0.45
HRH3 Q9Y5N1 9/20 0.44
SPR P35270 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CHRM4 P08173 1/20 0.40
CNR1 P21554 2/20 0.39
KCNH2 Q12809 1/20 0.39
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38

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
SCHEMBL7325823 0.91 SIGMAR1 (0.47) SIGMAR1APPHRH3SPRMEN1
SCHEMBL7323050 0.85 HRH3 (0.53) SIGMAR1HRH3MEN1ALDH1A1LMNA
SCHEMBL7322549 0.83 SIGMAR1 (0.48) SIGMAR1APPHRH3MEN1ALDH1A1
SCHEMBL27481158 0.81 HRH3 (0.48) SIGMAR1APPHRH3
SCHEMBL7326142 0.80 CCR5 (0.47)
SCHEMBL7319063 0.79 HRH3 (0.44) SIGMAR1HRH3MEN1ALDH1A1LMNA
SCHEMBL7315921 0.78 APP (0.41) APP
SCHEMBL7323139 0.77 HRH3 (0.42) SIGMAR1HRH3MEN1ALDH1A1LMNA
SCHEMBL7316201 0.77 ALDH1A1 (0.47) SIGMAR1HRH3MEN1ALDH1A1LMNA
SCHEMBL7323035 0.76 SLC6A4 (0.43) APPMEN1KMT2A

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
CN-1154483-C Use of amines to produce drugs for preventing tumour cell proliferation ��ŵ��-ʥ�������ɷ����޹�˾ 2004-06-23 CN disclosed
US-6235791-B1 USING CIS N-CYCLOHEXYL-N-ETHYL(3-(3-CHLORO-CYCLOHEXYLPHENYL)ALLYL)AMINE SANOFI-SYNTHELABO (FR) 2001-05-22 US disclosed
CN-1226825-A Use of amines to produce drugs for preventing tumour cell proliferation SANOFI SA (FR) 1999-08-25 CN disclosed