SCHEMBL6330778

SCHEMBL6330778

CC1C=C(c2cc(F)cc3ccoc23)CCN1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 2/20 0.41
CDK9 P50750 2/20 0.41
ACHE P22303 1/20 0.30

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
Hydrochloric Acid SCHEMBL6339258 0.99 CCNT1 (0.40) CCNT1CDK9
Fumaric Acid SCHEMBL6335012 0.90 CCNT1 (0.36) CCNT1CDK9
Fumaric Acid SCHEMBL6335016 0.90 CCNT1 (0.36) CCNT1CDK9
Hydrochloric Acid SCHEMBL6333562 0.81 CCNT1 (0.38) CCNT1CDK9
Hydrochloric Acid SCHEMBL7474626 0.80 CDK9 (0.32) CCNT1CDK9
Hydrochloric Acid SCHEMBL6333493 0.79 CCNT1 (0.33) CCNT1CDK9
Hydrochloric Acid SCHEMBL6338676 0.78 CCNT1 (0.36) CCNT1CDK9
Fumaric Acid SCHEMBL6337332 0.76 CDK9 (0.33) CCNT1CDK9
Fumaric Acid SCHEMBL6337336 0.76 CDK9 (0.33) CCNT1CDK9
SCHEMBL6331198 0.75 ACHE (0.33) ACHE

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-6881733-B1 Serotonergic benzofurans ELI LILLY AND COMPANY (US) 2005-04-19 US disclosed
EP-1204659-B1 SEROTONERGIC BENZOFURANS LILLY CO ELI (US) 2003-11-26 EP disclosed