SCHEMBL5774723

SCHEMBL5774723

CC1CC(c2ncc3nccc-3[nH]2)CC(c2ccc(F)cc2)N1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
GFER P55789 1/20 0.32
SSTR3 P32745 1/20 0.30
KCNH2 Q12809 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 SCHEMBL5772599 0.99 ALDH1A1 (0.32) ALDH1A1MAPTHPGDGFERSSTR3
SCHEMBL5775344 0.90
SCHEMBL5771685 0.90 MEN1 (0.33) MAPT
SCHEMBL5772547 0.89 MAPT (0.32) MAPT
SCHEMBL5773116 0.88
Hydrochloric Acid SCHEMBL5778520 0.88
Hydrochloric Acid SCHEMBL5772584 0.88 MAPT (0.32) MAPT
Hydrochloric Acid SCHEMBL5775499 0.87 HPGDS (0.32) SSTR3
SCHEMBL5771458 0.87 HDAC4 (0.32)
SCHEMBL5773252 0.87 HPGDS (0.34) SSTR3KCNH2

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
EP-1054887-B1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC (US) 2006-04-12 EP claimed
US-6187777-B1 PYRROLO(3,2-D)PYRIMIDINE DERIVATIVES; NEUROPEPTIDE Y AND CORTICOTROPIN RELEASING FACTOR MODULATORS; DIETETICS; ANTIDIABETIC, ANTIINFLAMMATORY, AND ANTITUMOR AGENTS AMGEN INC. 2001-02-13 US claimed