SCHEMBL10691938

SCHEMBL10691938

[N].c1ccc2c(c1)CCCC2

nearest known ligand 0.93

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.93
HTR2C P28335 1/20 0.50
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAOB P27338 4/20 0.46
MAOA P21397 3/20 0.46
CYP2A6 P11509 2/20 0.46
BCL2L1 Q07817 1/20 0.46
BAD Q92934 1/20 0.46
SIGMAR1 Q99720 1/20 0.43
PNMT P11086 1/20 0.43
CD44 P16070 1/20 0.43
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42
DRD4 P21917 1/20 0.42
DRD5 P21918 1/20 0.42
DRD3 P35462 1/20 0.42
MAPT P10636 1/20 0.41
PLAU P00749 1/20 0.40

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
SCHEMBL385555 0.96 TSHR (1.00) TSHRHTR2CHPGDL3MBTL1MAOB
SCHEMBL11645158 0.96 TSHR (1.00) TSHRHTR2CHPGDL3MBTL1MAOB
SCHEMBL29358070 0.96 TSHR (1.00) TSHRHTR2CHPGDL3MBTL1MAOB
SCHEMBL11606739 0.96 TSHR (1.00) TSHRHTR2CHPGDL3MBTL1MAOB
SCHEMBL8355 0.96 TSHR (1.00) TSHRHTR2CHPGDL3MBTL1MAOB
SCHEMBL25404307 0.93 TSHR (0.93) TSHRHTR2CHPGDL3MBTL1MAOB
SCHEMBL16393911 0.93 TSHR (0.93) TSHRHTR2CHPGDL3MBTL1MAOB
Hydrochloric Acid SCHEMBL5800421 0.93 TSHR (0.93) TSHRHTR2CHPGDL3MBTL1MAOB
Water SCHEMBL11804228 0.93 TSHR (0.93) TSHRHTR2CHPGDL3MBTL1MAOB
Ammonia Solution, Strong SCHEMBL1240223 0.93 TSHR (0.93) TSHRHTR2CHPGDL3MBTL1MAOB

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-4772632-A REDUCED MYELOSUPPRESSION THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1988-09-20 US disclosed