SCHEMBL7990801

SCHEMBL7990801

CCCn1cnc(-c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 3/20 0.53
CYP2A6 P11509 3/20 0.53
CYP2C9 P11712 3/20 0.53
CYP2B6 P20813 3/20 0.53
CYP2C19 P33261 3/20 0.53
CYP3A4 P08684 2/20 0.53
KDM5A P29375 1/20 0.52
KDM5B Q9UGL1 1/20 0.52
PDE10A Q9Y233 1/20 0.49
HPGDS O60760 1/20 0.49
CYP2D6 P10635 1/20 0.48
ALDH1A1 P00352 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KMT2A Q03164 2/20 0.44
TLR8 Q9NR97 2/20 0.43
NLRP3 Q96P20 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
SCHEMBL651699 0.90 CYP2E1 (0.50) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL2910946 0.87 CYP2E1 (0.67) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL17874829 0.87 TLR8 (0.52) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL14249846 0.83 SMN1; SMN2 (0.49) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL10981815 0.83 KDM5A (0.50) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL8204568 0.82 CYP2A6 (0.80) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL12985709 0.82 PDE10A (0.49) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL12985345 0.82 PDE10A (0.49) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL4865471 0.82 PDE10A (0.49) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
Hydrochloric Acid SCHEMBL28812335 0.81 PDE10A (0.48) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1044208-A1 ERYTHROMYCIN DERIVATIVES Pfizer Products Inc. (US) 2000-10-18 EP claimed
WO-1999035157-A1 NOVEL ERYTHROMYCIN DERIVATIVES PFIZER PRODUCTS INC. (US) 1999-07-15 WO claimed
US-6291656-B1 ANTIBIOTIC AGENTS FOR USE IN MAMMALS, HUMANS, FISH AND BIRDS; VETERINARY MEDICINE PFIZER INC. 2001-09-18 US disclosed
US-6159945-A 9-amino-3-keto erythromycin derivatives PFIZER INC. (US) 2000-12-12 US disclosed
WO-1999021865-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES PFIZER PRODUCTS INC. (US) 1999-05-06 WO disclosed
WO-1999021866-A1 9-AMINO-3-KETO ERYTHROMYCIN DERIVATIVES PFIZER PRODUCTS INC. (US) 1999-05-06 WO disclosed