SCHEMBL7534627

SCHEMBL7534627

CC1(C)CCCC(C)(C)N1OCCc1ccc(Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
TAAR1 Q96RJ0 3/20 0.40
SIGMAR1 Q99720 1/20 0.36
HTR2A P28223 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR2B P41595 1/20 0.33
GAA P10253 1/20 0.33
ACHE P22303 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ATM Q13315 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
CXCR3 P49682 1/20 0.31

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
SCHEMBL13737911 0.84 DHFR (0.31) SLC6A4
SCHEMBL4621770 0.84 DHFR (0.43) TAAR1SIGMAR1ATM
SCHEMBL23457706 0.80 HRH3 (0.38) MAOB
SCHEMBL1270625 0.73 TSHR (0.30) TSHR
SCHEMBL22689627 0.70 NPC1 (0.47) LMNANPC1HPGDSMN1; SMN2
SCHEMBL7527387 0.70 HRH3 (0.43) TAAR1SLC6A4KDM4E
SCHEMBL3920317 0.68
SCHEMBL2139487 0.67 ALDH1A1 (0.49) HTR2AHTR2CSLC6A4TSHR
SCHEMBL7147761 0.67 LMNA (0.38) LMNATP53MAOBHPGDGAA
SCHEMBL7534625 0.67 LMNA (0.38) LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020045719-A1 Dual purpose electroactive copolymers HAWKER CRAIG JON (US) 2002-04-18 US claimed
US-20010024738-A1 Opto-electronic devices fabricated with dual purpose electroactive copolymers HAWKER CRAIG JON (US) 2001-09-27 US claimed