SCHEMBL10548426

SCHEMBL10548426

CC1CN(C(=O)O)CCC1Oc1nc2ccccc2n1Cc1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.49
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
HRH1 P35367 15/20 0.48
CYP2D6 P10635 12/20 0.48
KCNH2 Q12809 7/20 0.48
CHRM1 P11229 4/20 0.47
TACR2 P21452 1/20 0.45
TACR1 P25103 1/20 0.45
SSTR5 P35346 1/20 0.44

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
SCHEMBL10799113 0.91 LMNA (0.51) TP53ALDH1A1LMNAGAAHRH1
SCHEMBL10549456 0.82 HRH1 (0.49) TP53LMNAGAAHRH1CYP2D6
SCHEMBL9536666 0.82 HRH1 (0.49) TP53LMNAGAAHRH1CYP2D6
SCHEMBL10798652 0.82 HRH1 (0.49) TP53LMNAGAAHRH1CYP2D6
SCHEMBL9535563 0.78 TP53 (0.51) TP53ALDH1A1LMNAGAAHRH1
Hydrochloric Acid SCHEMBL9537102 0.77 HRH1 (0.56) TP53HRH1CYP2D6KCNH2CHRM1
Hydrochloric Acid SCHEMBL10549097 0.77 HRH1 (0.56) TP53HRH1CYP2D6KCNH2CHRM1
Hydrochloric Acid SCHEMBL9537106 0.77 HRH1 (0.56) TP53HRH1CYP2D6KCNH2CHRM1
SCHEMBL9536973 0.77 EED (0.47) TP53LMNAGAAHRH1CYP2D6
SCHEMBL10549784 0.77 EED (0.47) TP53LMNAGAAHRH1CYP2D6

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-4839374-A TREATING ALLERGIES JANSSEN PHARMACEUTICA, N.V. (BE) 1989-06-13 US disclosed