SCHEMBL9762192

SCHEMBL9762192

CN1CCCN(c2nc3cccnc3n2Cc2ccccc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.49
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
HPGD P15428 1/20 0.47
HTR3E A5X5Y0 2/20 0.47
HTR3B O95264 2/20 0.47
HTR1A P08908 2/20 0.47
HTR2C P28335 2/20 0.47
HTR3A P46098 2/20 0.47
HTR3D Q70Z44 2/20 0.47
HTR3C Q8WXA8 2/20 0.47
BRD4 O60885 1/20 0.47

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 SCHEMBL9761957 0.99 KDM4E (0.48) KDM4EALDH1A1TSHRHTTHSD17B10
SCHEMBL9761998 0.95 KDM4E (0.53) KDM4EALDH1A1TSHRHTTHSD17B10
Fumaric Acid SCHEMBL9761122 0.87 LMNA (0.50) KDM4EALDH1A1TSHRHTTHSD17B10
Fumaric Acid SCHEMBL9761131 0.87 LMNA (0.50) KDM4EALDH1A1TSHRHTTHSD17B10
SCHEMBL9761943 0.85 CYP2D6 (0.54) ALDH1A1TSHRHSD17B10HTR3EHTR3B
SCHEMBL9760764 0.82 HTR3A (0.63) HTR3A
Hydrochloric Acid SCHEMBL9762241 0.81 HTR3A (0.62) HTR3A
SCHEMBL12354273 0.79 HTR3E (0.56) KDM4EALDH1A1TSHRHTTHSD17B10
SCHEMBL10967129 0.78 HTR3A (0.71) HTR3A
SCHEMBL2244026 0.76 HTR3E (0.61) KDM4EALDH1A1HSD17B10HPGDHTR3E

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-5023256-A Antihistamines DOMPE FARMACEUTICI S.P.A. (IT) 1991-06-11 US disclosed