SCHEMBL9630368

SCHEMBL9630368

NCCN1CCC(Nc2nc3cccnc3n2Cc2ccccn2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.43
EED O75530 2/20 0.42
KCNH2 Q12809 7/20 0.41
SSTR5 P35346 3/20 0.40
KAT2B Q92831 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
NR4A2 P43354 1/20 0.38
DRD4 P21917 2/20 0.38
SIGMAR1 Q99720 2/20 0.37
OPRM1 P35372 2/20 0.37
OPRK1 P41145 2/20 0.37
MEN1 O00255 1/20 0.37
MLNR O43193 1/20 0.37
CACNA1F O60840 1/20 0.37
USP2 O75604 1/20 0.37
ABCB11 O95342 1/20 0.37
EGFR P00533 1/20 0.37
LMNA P02545 1/20 0.37
HLA-A P04439 1/20 0.37

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
SCHEMBL9699544 0.94 HRH1 (0.47) HRH1EEDKCNH2SSTR5NR4A2
SCHEMBL9630130 0.89 HRH1 (0.53) HRH1EEDKCNH2SSTR5NR4A2
SCHEMBL9690941 0.88 HRH1 (0.41) HRH1EEDKCNH2SSTR5KAT2B
SCHEMBL9630461 0.87 HTR1A (0.40) HRH1EEDKCNH2SSTR5NR4A2
SCHEMBL9631274 0.86 KCNH2 (0.42) HRH1EEDKCNH2SSTR5KAT2B
SCHEMBL9629312 0.84 SLC6A9 (0.47) EEDKCNH2SSTR5ROCK2ROCK1
SCHEMBL8133192 0.84 SSTR5 (0.39) HRH1EEDKCNH2SSTR5NR4A2
SCHEMBL4987366 0.83 HRH1 (0.58) HRH1EEDKCNH2SSTR5NR4A2
Water SCHEMBL6662104 0.83 KCNH2 (0.42) HRH1EEDKCNH2SSTR5NR4A2
SCHEMBL9630210 0.83 EED (0.39) HRH1EEDKCNH2SSTR5NR4A2

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
US-5151424-A Antiallergens or antihistamines JANSSEN PHARMACEUTICA N.V. (BE) 1992-09-29 US disclosed
US-5071846-A Anti-hystaminic [(bicyclic heterocyclyl) methyl and --hetero] substituted hexahydro-1H-azepines and pyrrolidines JANSSEN PHARMACEUTICA N.V. (BE) 1991-12-10 US disclosed
US-4988689-A Antiallergens, antihistamines JANSSEN PHARMACEUTICA N.V. (BE) 1991-01-29 US disclosed