SCHEMBL3973796

SCHEMBL3973796

COc1cc2c(c(Br)c1OC)CN(CCCN1CCCCC1C)C2=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
ACHE P22303 1/20 0.42
ACKR3 P25106 1/20 0.41
HRH3 Q9Y5N1 5/20 0.39
HTR2C P28335 1/20 0.39
MAPT P10636 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 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
SCHEMBL3979633 0.80 POLB (0.43) HSD17B10MAPTSMN1; SMN2
SCHEMBL3973213 0.80 HTR2A (0.42) HRH3SMN1; SMN2CYP2D6CYP2C9TSHR
SCHEMBL3974894 0.79 HTR2A (0.44) ACHEHRH3HTR2CSMN1; SMN2CYP2D6
SCHEMBL4081651 0.77 LMNA (0.46) HSD17B10CYP2D6CYP2C9TSHR
SCHEMBL3973494 0.76 IDH1 (0.39) HSD17B10SMN1; SMN2TSHRCA1CA2
SCHEMBL3972272 0.74 CA1 (0.38) ACHECA1CA2CA4CA6
SCHEMBL3973824 0.74 HTR2A (0.36) SMN1; SMN2CA1CA2CA4CA6
SCHEMBL4084541 0.73 SYK (0.45) HSD17B10MAPTSMN1; SMN2CYP2D6TSHR
SCHEMBL438402 0.73 HDAC1 (0.42)
SCHEMBL3974167 0.73 BCHE (0.39) ACHE

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
WO-2009051417-A2 PHENANTHRENE LACTAM DERIVATIVES HAVING ANTICANCER ACTIVITY AND METHOD FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2009-04-23 WO disclosed