SCHEMBL7182897

SCHEMBL7182897

C=C(c1ccc(C(=C)N2CCCC2)cc1)N1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 11/20 0.50
ALDH1A1 P00352 5/20 0.50
MAPT P10636 3/20 0.45
KMT2A Q03164 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MLYCD O95822 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.42
ALOX15 P16050 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPK1 P28482 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL22175120 0.89 ALDH1A1 (0.42) HPGDALDH1A1MAPTKMT2ACYP1A2
SCHEMBL5949332 0.89 HPGD (0.60) HPGDALDH1A1MAPTKMT2ACYP1A2
SCHEMBL5949150 0.89 RAB9A (0.49) HPGDALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL1942112 0.89 ALOX5 (0.51) HPGDALDH1A1MAPTKMT2AMLYCD
SCHEMBL4574011 0.89 SMN1; SMN2 (0.50) HPGDALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL1934947 0.88 HPGD (0.55) HPGDALDH1A1KMT2ACYP1A2CYP2C9
SCHEMBL12049627 0.87 RAB9A (0.51) HPGDALDH1A1MAPTKMT2ATP53
SCHEMBL3731573 0.86 HPGD (0.59) HPGDALDH1A1KMT2ACYP1A2CYP2C9
SCHEMBL7178627 0.85 RAB9A (0.57) HPGDALDH1A1MAPTKMT2AMLYCD
SCHEMBL5772993 0.85 HPGD (0.62) HPGDALDH1A1KMT2AMAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1054887-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS Amgen Inc. (US) 2000-11-29 EP disclosed
WO-1999040091-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC. (US) 1999-08-12 WO disclosed