SCHEMBL5287567

SCHEMBL5287567

O=C(O)CC1CCN(CCC=C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.64
SLC6A1 P30531 7/20 0.62
ALDH1A1 P00352 2/20 0.62
LMNA P02545 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
TSHR P16473 1/20 0.62
NFKB1 P19838 1/20 0.62
CYP2C19 P33261 1/20 0.62
HSD17B10 Q99714 1/20 0.62

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
SCHEMBL11197152 0.93 SLC6A1 (0.70) SIGMAR1SLC6A1ALDH1A1LMNACYP1A2
Hydrochloric Acid SCHEMBL10941244 0.91 SIGMAR1 (0.64) SIGMAR1SLC6A1ALDH1A1LMNACYP1A2
Maleic Acid SCHEMBL10966258 0.88 SLC6A1 (0.65) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
Fumaric Acid SCHEMBL10966268 0.88 SLC6A1 (0.65) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
Hydrochloric Acid SCHEMBL11033443 0.88 ALDH1A1 (0.51) SIGMAR1SLC6A1ALDH1A1LMNACYP1A2
Hydrochloric Acid SCHEMBL10945909 0.88 ALDH1A1 (0.51) SIGMAR1SLC6A1ALDH1A1LMNACYP1A2
SCHEMBL10938841 0.88 SLC6A1 (0.50) SIGMAR1SLC6A1ALDH1A1LMNACYP1A2
SCHEMBL10938825 0.88 SLC6A1 (0.50) SIGMAR1SLC6A1ALDH1A1LMNACYP1A2
SCHEMBL10938814 0.88 SLC6A1 (0.50) SIGMAR1SLC6A1ALDH1A1LMNACYP1A2
SCHEMBL10938940 0.87 SIGMAR1 (0.60) SIGMAR1SLC6A1ALDH1A1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1142584-A1 COMPOSITIONS FOR TREATING FREQUENT URINATION AND URINARY INCONTINENCE Takeda Chemical Industries, Ltd. (JP) 2001-10-10 EP claimed
US-4514414-A NEUROLEPTIC AGENTS SMITHKLINE BECKMAN CORPORATION (US) 1985-04-30 US claimed
EP-0912091-B1 USE OF GABA UPTAKE INHIBITORS AS ANTI-TUSSIVE AGENTS SMITHKLINE BEECHAM CORP (US) 2007-12-19 EP disclosed
EP-1142584-A1 COMPOSITIONS FOR TREATING FREQUENT URINATION AND URINARY INCONTINENCE Takeda Chemical Industries, Ltd. (JP) 2001-10-10 EP disclosed
JP-2000264848-A COMPOSITION FOR TREATING POLLAKIURIA AND ACONUROSIS TAKEDA CHEM IND LTD 2000-09-26 JP disclosed
US-6121290-A TREATING COUGH BY ADMINISTERING A COMPOUND THAT INHIBITS GABA (GAMMA-AMINO-BUTYRIC ACID) UPTAKE, SUCH AS GUVACINE SMITHKLINE BEECHAM CORPORATION (US) 2000-09-19 US disclosed
US-4514414-A NEUROLEPTIC AGENTS SMITHKLINE BECKMAN CORPORATION (US) 1985-04-30 US disclosed