SCHEMBL5776155

SCHEMBL5776155

CC=C(c1ccc(C(F)(F)F)cc1)N1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
TSHR P16473 1/20 0.58
KDM1A O60341 1/20 0.46
MLYCD O95822 3/20 0.44
SLC6A4 P31645 1/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40
NR4A3 Q92570 1/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL11482047 0.76 HPGD (0.52) HPGDMEN1KMT2AALDH1A1GAA
SCHEMBL11482052 0.76 HPGD (0.52) HPGDMEN1KMT2AALDH1A1GAA
SCHEMBL5771647 0.75 HPGD (0.62) HPGDMEN1KMT2ATSHRKDM1A
SCHEMBL2686486 0.75 HPGD (0.96) HPGDMEN1KMT2ATSHRKDM1A
SCHEMBL11475019 0.74 HPGD (0.55) HPGDMEN1KMT2AALDH1A1GAA
SCHEMBL7182810 0.74 SMN1; SMN2 (0.64) HPGDMEN1KMT2ALMNAPOLB
SCHEMBL9677283 0.74 HPGD (1.00) HPGDMEN1KMT2ATSHRKDM1A
SCHEMBL7189572 0.72 KMT2A (0.47) HPGDMEN1KMT2ATSHRLMNA
SCHEMBL5774256 0.72 KMT2A (0.47) HPGDMEN1KMT2ATSHRLMNA
SCHEMBL6220956 0.71 NR4A1 (0.53) HPGDMEN1KMT2ATSHRCES2

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 disclosed
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 disclosed