SCHEMBL6152560

SCHEMBL6152560

NCCCNc1cccc(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.50
SSTR2 P30874 1/20 0.46
SSTR4 P31391 1/20 0.46
KMT2A Q03164 2/20 0.46
CYP3A4 P08684 2/20 0.46
MAPT P10636 2/20 0.46
CYP1A2 P05177 2/20 0.46
TSHR P16473 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
DRD2 P14416 1/20 0.44
DRD1 P21728 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
IDO1 P14902 1/20 0.42
ENPP2 Q13822 1/20 0.42
ALDH1A1 P00352 2/20 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
Bromide SCHEMBL21436754 0.98 HTR7 (0.49) HTR7SSTR2SSTR4KMT2ACYP3A4
SCHEMBL9149358 0.95 HTR7 (0.49) HTR7SSTR2SSTR4KMT2ACYP3A4
SCHEMBL11934987 0.93 HTR7 (0.48) HTR7SSTR2SSTR4KMT2ACYP3A4
SCHEMBL6151959 0.89 KMT2A (0.48) HTR7KMT2ACYP3A4MAPTCYP1A2
SCHEMBL11508113 0.88 CYP3A4 (0.56) HTR7KMT2ACYP3A4MAPTCYP1A2
SCHEMBL4500085 0.87 HTR7 (0.51) HTR7KMT2ACYP3A4MAPTCYP1A2
SCHEMBL22631193 0.86 MAPT (0.54) KMT2ACYP3A4MAPTCYP1A2CYP2D6
SCHEMBL5159176 0.83 HTR7 (0.51) HTR7KMT2ACYP3A4MAPTCYP1A2
SCHEMBL3224710 0.81 F2R (0.50) HTR7CYP3A4MAPTCYP1A2TSHR
SCHEMBL30513572 0.80 CYP3A4 (0.52) HTR7KMT2ACYP3A4CYP1A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1185234-B1 NEW COUPLING COMPONENTS FOR OXIDATION HAIR COLORANTS HENKEL KGAA (DE) 2005-02-09 EP claimed
EP-1185234-A1 NEW COUPLING COMPONENTS FOR OXIDATION HAIR COLORANTS Henkel Kommanditgesellschaft auf Aktien (DE) 2002-03-13 EP claimed
WO-2001000152-A1 NEW COUPLING COMPONENTS FOR OXIDATION HAIR COLORANTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-01-04 WO claimed
EP-3774747-A1 BENZOPHENOXAZINE DERIVATIVES FOR DIAGNOSIS OF NEOPLASIA OR INFECTION Universidade do Minho (PT) 2021-02-17 EP disclosed
WO-2019193544-A1 BENZOPHENOXAZINE DERIVATIVES FOR DIAGNOSIS OF NEOPLASIA OR INFECTION UNIVERSIDADE DO MINHO (PT) 2019-10-10 WO disclosed
EP-1185234-B1 NEW COUPLING COMPONENTS FOR OXIDATION HAIR COLORANTS HENKEL KGAA (DE) 2005-02-09 EP disclosed
EP-1185234-A1 NEW COUPLING COMPONENTS FOR OXIDATION HAIR COLORANTS Henkel Kommanditgesellschaft auf Aktien (DE) 2002-03-13 EP disclosed
WO-2001000152-A1 NEW COUPLING COMPONENTS FOR OXIDATION HAIR COLORANTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-01-04 WO disclosed