SCHEMBL8113459

SCHEMBL8113459

[CH2]CCCC(CC(C)C)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.37
TAAR1 Q96RJ0 3/20 0.35
HTR2A P28223 4/20 0.35
HRH1 P35367 4/20 0.35
RIPK1 Q13546 1/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 2/20 0.34
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CHRM1 P11229 1/20 0.34
SMPD1 P17405 1/20 0.34
DRD1 P21728 1/20 0.34
TBXA2R P21731 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
OPRM1 P35372 1/20 0.34

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
SCHEMBL8124007 0.89 TRPA1 (0.39) TRPA1TAAR1HTR2AHRH1RIPK1
SCHEMBL8847398 0.81 HRH1 (0.36) TRPA1TAAR1HTR2AHRH1CYP1A2
SCHEMBL3385362 0.81 LMNA (0.42) TRPA1TAAR1HTR2AHRH1LMNA
SCHEMBL309989 0.80 TAAR1 (0.40) TRPA1TAAR1HTR2AHRH1RIPK1
SCHEMBL6180919 0.80 NR1I2 (0.43) TRPA1TAAR1HTR2AHRH1RIPK1
SCHEMBL3316490 0.79 AOC3 (0.40) HTR2AHRH1LMNAALDH1A1
SCHEMBL15563156 0.79 POLB (0.41) HTR2AHRH1LMNAALDH1A1OPRM1
SCHEMBL7764729 0.79 AOC3 (0.42) TRPA1TAAR1RIPK1LMNAALDH1A1
SCHEMBL1921279 0.78 SIGMAR1 (0.41) HTR2AALDH1A1OPRM1
SCHEMBL3456972 0.77 HRH1 (0.36) TAAR1HTR2AHRH1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0519353-B1 Indolizin derivatives, process for their preparation and pharmaceutical composition containing them FUJISAWA PHARMACEUTICAL CO (JP) 2000-08-16 EP claimed
US-5334716-A Preventing testosteron 5a-reductase mediated diseases; alopecia, acne, prostatism FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-08-02 US claimed
EP-0519353-A2 Indolizin derivatives, process for their preparation and pharmaceutical composition containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-12-23 EP claimed
EP-0519353-B1 Indolizin derivatives, process for their preparation and pharmaceutical composition containing them FUJISAWA PHARMACEUTICAL CO (JP) 2000-08-16 EP disclosed
US-5780633-A Process for the preparation of indolizine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-07-14 US disclosed
EP-0458207-B1 Indole derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1997-03-26 EP disclosed
EP-0600084-A1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-06-08 EP disclosed
US-5312829-A Testosterone 5alpha-reductase inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-05-17 US disclosed
US-5212320-A Enzyme inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-05-18 US disclosed
WO-1993003012-A1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-02-18 WO disclosed
EP-0458207-A2 Indole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-11-27 EP disclosed