SCHEMBL9565027

SCHEMBL9565027

O=c1[nH]c2ccccc2n1CCN1CCC(Nc2nc3cncnc3n2Cc2ccc(F)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 8/20 0.55
HRH1 P35367 2/20 0.54
HRH4 Q9H3N8 2/20 0.54
KCNH2 Q12809 4/20 0.51
NR4A2 P43354 2/20 0.51
CYP1A2 P05177 5/20 0.49
USP2 O75604 4/20 0.49
CYP3A4 P08684 4/20 0.49
CYP2C19 P33261 3/20 0.49
CYP2D6 P10635 2/20 0.49
EED O75530 2/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.49
MLNR O43193 1/20 0.49
CACNA1F O60840 1/20 0.49
ABCB11 O95342 1/20 0.49
EGFR P00533 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
SCHEMBL9865967 0.92 CYP3A4 (0.51) SSTR5HRH1HRH4KCNH2NR4A2
SCHEMBL9742751 0.88 SSTR5 (0.63) SSTR5HRH1HRH4KCNH2NR4A2
SCHEMBL11473337 0.85 SSTR5 (0.57) SSTR5HRH1HRH4KCNH2NR4A2
SCHEMBL11480631 0.83 SSTR5 (0.69) SSTR5HRH1HRH4KCNH2NR4A2
SCHEMBL9629693 0.83 SSTR5 (0.67) SSTR5HRH1HRH4KCNH2NR4A2
SCHEMBL9564810 0.82 SSTR5 (0.53) SSTR5HRH1HRH4KCNH2NR4A2
SCHEMBL9602457 0.81 CYP1A2 (0.45) HRH1KCNH2CYP1A2USP2CYP3A4
SCHEMBL9564897 0.81 SSTR5 (0.54) SSTR5HRH1HRH4KCNH2NR4A2
SCHEMBL9565058 0.81 SSTR5 (0.54) SSTR5HRH1HRH4KCNH2NR4A2
SCHEMBL9564815 0.81 CYP1A2 (0.47) SSTR5HRH1HRH4KCNH2NR4A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5258380-A Antiallergens, antihistamines JANSSEN PHARMACEUTICA N.V. (BE) 1993-11-02 US disclosed
EP-0206415-B1 (4-PIPERIDINYLMETHYL AND -HETERO)PURINES JANSSEN PHARMACEUTICA N.V. (BE) 1993-01-27 EP disclosed
US-5041448-A Antiallergens JANSSEN PHARMACEUTICA N.V. (BE) 1991-08-20 US disclosed
EP-0206415-A2 (4-Piperidinylmethyl and -hetero)purines JANSSEN PHARMACEUTICA N.V. (BE) 1986-12-30 EP disclosed