SCHEMBL10479161

SCHEMBL10479161

O=c1[nH]c2cccnc2n1CCCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.74
▸ KCNH2 Q12809 4/20 0.49
▸ CHRM1 P11229 1/20 0.48
▸ DRD2 P14416 1/20 0.48
▸ HRH1 P35367 4/20 0.48
▸ CYP2J2 P51589 4/20 0.47
▸ MEN1 O00255 1/20 0.47

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
SCHEMBL10479207 0.94 P2RX7 (0.65) P2RX7KCNH2HRH1MEN1
SCHEMBL10479186 0.91 P2RX7 (0.62) P2RX7KCNH2CHRM1DRD2HRH1
SCHEMBL10479180 0.86 P2RX7 (0.57) P2RX7KCNH2CHRM1DRD2HRH1
SCHEMBL10731970 0.79 P2RX7 (0.67) P2RX7KCNH2DRD2HRH1MEN1
SCHEMBL10732158 0.79 P2RX7 (0.88) P2RX7KCNH2CHRM1HRH1
SCHEMBL10731801 0.78 P2RX7 (0.85) P2RX7KCNH2CHRM1DRD2HRH1
SCHEMBL10734439 0.78 P2RX7 (0.71) P2RX7KCNH2CHRM1MEN1
SCHEMBL10731808 0.78 P2RX7 (0.77) P2RX7KCNH2DRD2HRH1CYP2J2
SCHEMBL10479163 0.76 P2RX7 (0.48) P2RX7KCNH2HRH1CYP2J2
SCHEMBL7656612 0.76 P2RX7 (0.74) P2RX7KCNH2DRD2HRH1CYP2J2

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
US-4806560-A ANTIHISTAMINES AND ANTISEROTONINE AGENTS SYNTHELABO (FR) 1989-02-21 — — US disclosed
Send feedback