SCHEMBL6432692

SCHEMBL6432692

NC(CCc1ccccc1)c1ccc(C(N)CCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.50
ERAP1 Q9NZ08 2/20 0.50
ERAP2 Q6P179 1/20 0.50
CYP2A6 P11509 1/20 0.46
HTR2A P28223 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
EPHX1 P07099 1/20 0.44
ACP3 P15309 1/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
KCNH2 Q12809 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL8067078 0.95 ANPEP (0.50) ANPEPERAP1ERAP2CYP2A6HTR2A
SCHEMBL855071 0.95 ANPEP (0.50) ANPEPERAP1ERAP2CYP2A6HTR2A
SCHEMBL5924988 0.95 ANPEP (0.50) ANPEPERAP1ERAP2CYP2A6HTR2A
Hydrochloric Acid SCHEMBL9635016 0.93 ANPEP (0.48) ANPEPERAP1ERAP2CYP2A6HTR2A
SCHEMBL27549431 0.90 ADRA1A (0.51) ANPEPERAP1ERAP2HTR2AKCNH2
SCHEMBL8242110 0.86 TACR1 (0.47) TAAR1ACP3MAOBKCNH2ALDH1A1
SCHEMBL3604156 0.86 TACR1 (0.47) TAAR1ACP3MAOBKCNH2ALDH1A1
SCHEMBL20725551 0.85 ANPEP (0.46) ANPEPERAP1ERAP2CYP2A6HTR2A
Hydrochloric Acid SCHEMBL2321850 0.84 TACR1 (0.46) TAAR1ACP3MAOBKCNH2ALDH1A1
Hydrochloric Acid SCHEMBL2321848 0.84 TACR1 (0.46) TAAR1ACP3MAOBKCNH2ALDH1A1

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-1411927-A4 METHOD FOR THE PREPARATION OF SELECTIVELY-SUBSTITUTED CORROLES AND NEW SUBSTITUTED CORROLES TECHNION RES & DEV FOUNDATION (IL) 2005-04-20 EP disclosed
EP-1411927-A1 METHOD FOR THE PREPARATION OF SELECTIVELY-SUBSTITUTED CORROLES AND NEW SUBSTITUTED CORROLES Technion Research and Development Foundation Ltd. (IL) 2004-04-28 EP disclosed
WO-2003004021-A1 METHOD FOR THE PREPARATION OF SELECTIVELY-SUBSTITUTED CORROLES AND NEW SUBSTITUTED CORROLES TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2003-01-16 WO disclosed