SCHEMBL19154658

SCHEMBL19154658

CC(C)c1ncc2c(C(C)C)cccc2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
FAAH O00519 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
GABRB1 P18505 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2C P28335 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
HTR2B P41595 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36

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
SCHEMBL26438880 0.82 CYP1A2 (0.37) TSHRCYP1A2CYP3A4HPGDPRNP
SCHEMBL23978475 0.81 MAPT (0.44) TSHRCYP1A2CYP3A4PRNPRXFP1
SCHEMBL24174451 0.78 TLR7 (0.34) LMNATSHRGABRA1GABRG2GABRB3
SCHEMBL24702582 0.78 MAPT (0.53) LMNACYP1A2PIP4K2CMAPTKMT2A
SCHEMBL22672620 0.77 HTT (0.41) TSHRCA1CA2HPGDPOLB
SCHEMBL22672522 0.77 PDE7A (0.44) TSHRPRNPRXFP1USP2NPSR1
SCHEMBL24768800 0.75 LMNA (0.57) LMNATSHRCYP3A4HIF1APRNP
SCHEMBL31326061 0.73 CYP1A2 (0.43) LMNACYP1A2HPGDPRNPRXFP1
SCHEMBL4547884 0.73 CYP1A2 (0.43) LMNACYP1A2HPGDPRNPRXFP1
SCHEMBL24175176 0.73 GABRA1 (0.38) LMNATSHRGABRA1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022002118-A1 FUSED-RING HETEROCYCLE DERIVATIVE AND MEDICAL USE THEREOF 四川海思科制药有限公司 2022-01-06 WO disclosed
US-9744169-B2 Compounds for treatment of fibrosis diseases CUREGENIX, INC. (CN) 2017-08-29 US disclosed
US-9713612-B2 Compounds for treatment of cancer CUREGENIX, INC. (CN) 2017-07-25 US disclosed