SCHEMBL6443896

SCHEMBL6443896

NC(=O)Oc1cnc2n1CCc1ccccc1C21CCN(CCO)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.52
SIGMAR1 Q99720 9/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
SLC18A3 Q16572 1/20 0.33
OPRL1 P41146 5/20 0.33
OPRK1 P41145 2/20 0.33
OPRM1 P35372 2/20 0.33
OPRD1 P41143 1/20 0.32
MEN1 O00255 1/20 0.32
EBP Q15125 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
Water SCHEMBL6440321 0.88 HRH1 (0.56) HRH1SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL6030546 0.85 HRH1 (0.72) HRH1SIGMAR1HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL6440622 0.84 HRH1 (0.73) HRH1HTR2AHTR2C
SCHEMBL6440008 0.73 HRH1 (0.80) HRH1SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL6031708 0.72 HRH1 (0.71) HRH1SIGMAR1HTR2AHTR2CHTR2B
Water SCHEMBL6031226 0.72 HRH1 (0.78) HRH1SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL6031874 0.69 SIGMAR1 (0.49) HRH1SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL6029703 0.69 HRH1 (0.77) HRH1SIGMAR1HTR2AHTR2CHTR2B
Vapitadine SCHEMBL29379463 0.69 HRH1 (1.00) HRH1SIGMAR1HTR2AHTR2CHTR2B
Vapitadine SCHEMBL6440903 0.69 HRH1 (1.00) HRH1SIGMAR1HTR2AHTR2CHTR2B

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-1144411-B1 ANTIHISTAMINIC SPIRO COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2005-04-27 EP claimed