SCHEMBL9259347

SCHEMBL9259347

Cn1ccnc1SCCN1CCC(=C2c3ccn(C)c3CCn3ccnc32)CC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.61
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 2/20 0.31
MAPT P10636 2/20 0.31
TP53 P04637 2/20 0.30
ALDH1A1 P00352 2/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
ALOX12 P18054 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL6990349 0.83 HRH1 (0.68) HRH1
SCHEMBL6991699 0.83 HRH1 (0.68) HRH1
SCHEMBL6996383 0.80 HRH1 (0.61) HRH1
Water SCHEMBL6994538 0.79 HRH1 (0.62) HRH1
SCHEMBL6988765 0.78 HRH1 (0.61) HRH1
SCHEMBL6999312 0.78 HRH1 (0.61) HRH1ALDH1A1HSD17B10
Water SCHEMBL6991174 0.77 HRH1 (0.60) HRH1TP53
SCHEMBL6993352 0.77 HRH1 (0.59) HRH1
Water SCHEMBL6988769 0.77 HRH1 (0.59) HRH1KDM4EKMT2AMEN1POLB
SCHEMBL6993236 0.76 HRH1 (0.71) HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5461050-A Antiallergens JANSSEN PHARMACEUTICA N.V. (BE) 1995-10-24 US disclosed
EP-0518434-A1 Imidazo(1,2-a)(pyrrolo, thieno or furano)(3,2-d)azepine derivatives, compositions and methods of use JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-16 EP disclosed