SCHEMBL9537554

SCHEMBL9537554

OCCN1CCC(Cc2nc3ccccc3n2Cc2ccc(F)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 7/20 0.63
CYP2D6 P10635 6/20 0.63
RAB9A P51151 1/20 0.55
SSTR5 P35346 3/20 0.53
KCNH2 Q12809 6/20 0.53
NR4A2 P43354 1/20 0.53
CHRM1 P11229 3/20 0.53
KDM4E B2RXH2 1/20 0.51
TACR2 P21452 2/20 0.49
TACR1 P25103 2/20 0.49
MEN1 O00255 1/20 0.49
MLNR O43193 1/20 0.49
CACNA1F O60840 1/20 0.49
EED O75530 1/20 0.49
USP2 O75604 1/20 0.49
ABCB11 O95342 1/20 0.49
EGFR P00533 1/20 0.49
LMNA P02545 1/20 0.49
HLA-A P04439 1/20 0.49
ERBB2 P04626 1/20 0.49

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
Hydrochloric Acid SCHEMBL9539517 0.99 HRH1 (0.62) HRH1CYP2D6RAB9ASSTR5KCNH2
SCHEMBL9537584 0.91 MEN1 (0.56) HRH1CYP2D6KCNH2KDM4EMEN1
SCHEMBL9536663 0.90 RAB9A (0.55) HRH1CYP2D6RAB9ASSTR5KCNH2
Hydrochloric Acid SCHEMBL9537670 0.90 RAB9A (0.55) HRH1CYP2D6RAB9ASSTR5KCNH2
SCHEMBL9535164 0.90 MEN1 (0.54) HRH1CYP2D6KCNH2KDM4EMEN1
SCHEMBL9536935 0.89 NPSR1 (0.55) HRH1CYP2D6RAB9ASSTR5KCNH2
SCHEMBL9536543 0.88 SSTR5 (0.66) HRH1CYP2D6RAB9ASSTR5KCNH2
SCHEMBL9539974 0.88 KCNH2 (0.69) HRH1CYP2D6RAB9ASSTR5KCNH2
SCHEMBL9537797 0.87 RAB9A (0.57) HRH1CYP2D6RAB9ASSTR5KCNH2
SCHEMBL9540172 0.87 TP53 (0.53) HRH1CYP2D6RAB9ASSTR5KCNH2

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
EP-0151826-B1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-31 EP disclosed
US-4839374-A TREATING ALLERGIES JANSSEN PHARMACEUTICA, N.V. (BE) 1989-06-13 US disclosed
US-4695575-A ANTIHISTAMINES JANSSEN PHARMACEUTICA, N.V. (BE) 1987-09-22 US disclosed