SCHEMBL5777660

SCHEMBL5777660

C=C(c1ccc2c(c1)CCO2)N1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.54
HPGD P15428 4/20 0.46
TSHR P16473 1/20 0.46
RECQL P46063 1/20 0.46
GPR183 P32249 3/20 0.43
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CTNNB1 P35222 2/20 0.41
WNT3A P56704 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 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
SCHEMBL5773873 0.83 HPGD (0.65) HPGDTSHRRECQLNPC1RAB9A
SCHEMBL5524809 0.81 HPGD (0.71) PRKCIHPGDTSHRRECQLGPR183
SCHEMBL13216392 0.76 HPGD (0.67) HPGDTSHRRECQLNPC1RAB9A
SCHEMBL5776890 0.76 ALDH1A1 (0.50) HPGDNPC1RAB9ACTNNB1WNT3A
SCHEMBL14378341 0.76 PRKCI (0.62) PRKCITAS1R3TAS1R1NPC1RAB9A
SCHEMBL5774203 0.76 ALDH1A1 (0.46) HPGDNPC1RAB9ACTNNB1WNT3A
SCHEMBL7182897 0.72 HPGD (0.50) HPGDTSHRSMN1; SMN2ALDH1A1MAPT
SCHEMBL11022359 0.72 PRKCI (0.66) PRKCITSHRGPR183TAS1R3TAS1R1
SCHEMBL3544882 0.70 PRKCI (1.00) PRKCITSHRTAS1R3TAS1R1NPC1
SCHEMBL1395976 0.70 PRKCI (0.64) PRKCITSHRTAS1R3TAS1R1NPC1

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 3 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-6583154-B1 Neuropeptide Y antagonist; pyrrolo-(3,2-b)pyridines and pyrrolo-(3,2-d)pyrimidines AMGEN INC. 2003-06-24 US 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