SCHEMBL7750593

SCHEMBL7750593

[CH2]CSCc1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CHRNA7 P36544 2/20 0.47
CHRNB2 P17787 4/20 0.46
CHRNA4 P43681 4/20 0.46
HRH4 Q9H3N8 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP2A6 P11509 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
DAO P14920 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HRH1 P35367 2/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL7405579 0.87 CYP1A2 (0.56) CYP1A2CYP2D6CHRNA7CHRNB2CHRNA4
SCHEMBL30732355 0.82 CYP1A2 (0.50) CYP1A2CYP2D6CHRNA7CHRNB2CHRNA4
SCHEMBL29152282 0.82 CYP1A2 (0.50) CYP1A2CYP2D6CHRNA7CHRNB2CHRNA4
SCHEMBL9696232 0.80 CYP1A2 (0.48) CYP1A2CYP2D6CHRNA7CHRNB2CHRNA4
SCHEMBL12854012 0.80 CHRNB2 (0.52) CYP1A2CYP2D6CHRNA7CHRNB2CHRNA4
SCHEMBL1145470 0.79
SCHEMBL3419445 0.79 CYP1A2 (0.56) CYP1A2CYP2D6CHRNA7CHRNB2CHRNA4
SCHEMBL9865840 0.77 CHRNA7 (0.58) CYP1A2CYP2D6CHRNA7CHRNB2CHRNA4
SCHEMBL22922294 0.77 CHRM2 (0.46) CYP1A2CYP2D6CHRNA7CHRNB2CHRNA4
SCHEMBL9267237 0.77 NAPRT (0.46) CYP1A2CYP2D6CHRNA7CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992022295-A1 USE OF GUANIDINE DERIVATIVES IN THE PREPARATION OF A DRUG FOR THE TREATMENT OF SEPSIS AND SEPSIS-LIKE CONDITIONS AND SEPTIC SHOCK NEUGEBAUER EDMUND (DE) 1992-12-23 WO claimed
US-6313128-B1 CAN BE USED AS LYPOLYSIS/LYPOGENESIS REGULATORS IN THE SKIN WITHOUT, INTERFERRING WITH THE SKIN'S NATURAL FUNCTIONS; FOR THERAPY OF SABORRHEA AND ACNE SANOFI-SYNTHELABO (FR) 2001-11-06 US disclosed
US-6114336-A Cosmetic composition containing a neuropeptide Y receptor antagonist SANOFI (FR) 2000-09-05 US disclosed
US-5827853-A MIXTURE CONTAINING PRODUCT FROM FERMENTATION BY STREPTOMYCES FOR TOPICAL APPLICATION TO SKIN OR HAIR, TO IMPROVE TEXTURE, SURFACE SMOOTHNESS, FIRMNESS SANOFI (FR) 1998-10-27 US disclosed
WO-1992022295-A1 USE OF GUANIDINE DERIVATIVES IN THE PREPARATION OF A DRUG FOR THE TREATMENT OF SEPSIS AND SEPSIS-LIKE CONDITIONS AND SEPTIC SHOCK NEUGEBAUER EDMUND (DE) 1992-12-23 WO disclosed