SCHEMBL7994140

SCHEMBL7994140

O=C([AsH2])C1(N2CCCCC2)CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.39
CHKA P35790 1/20 0.39
CYP1A2 P05177 1/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TP53 P04637 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HSD11B1 P28845 1/20 0.31
HSD11B2 P80365 1/20 0.31
HTT P42858 1/20 0.31
ADRA2C P18825 1/20 0.31
POLB P06746 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
SCHEMBL1127702 0.81 ALDH1A1 (0.49) GAAALDH1A1TP53TSHRKDM4E
SCHEMBL6543859 0.81 ALDH1A1 (0.49) GAAALDH1A1TP53TSHRKDM4E
SCHEMBL4610760 0.79 CA2 (0.47) CA2CHKACYP1A2ALDH1A1TP53
SCHEMBL4609731 0.79 CA2 (0.47) CA2CHKACYP1A2ALDH1A1TP53
Hydrochloric Acid SCHEMBL6544280 0.79 ALDH1A1 (0.48) GAAALDH1A1TP53TSHRKDM4E
SCHEMBL8177031 0.78 ALDH1A1 (0.46) GAAALDH1A1TP53TSHRKDM4E
SCHEMBL4612243 0.77 CA2 (0.44) CA2CHKACYP1A2ALDH1A1TP53
SCHEMBL6175645 0.77 HSD11B1 (0.38) CA2CHKACYP1A2GAAALDH1A1
SCHEMBL6508506 0.77 CYP1A2 (0.37) CA2CHKACYP1A2ALDH1A1KDM4E
SCHEMBL6512207 0.77 CYP1A2 (0.41) CA2CHKACYP1A2ALDH1A1TP53

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-6235757-B1 ANTIHISTAMINES ZENECA LIMITED (GB) 2001-05-22 US disclosed