SCHEMBL7846201

SCHEMBL7846201

c1ccc(C2(c3ccccc3)COc3ccc4ccccc4c3N2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.37
HTR7 P34969 1/20 0.37
HTR2B P41595 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
GAA P10253 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 5/20 0.34
MAPT P10636 3/20 0.34
TAAR1 Q96RJ0 1/20 0.34
CYP19A1 P11511 1/20 0.34
HSD17B10 Q99714 4/20 0.33
HPGD P15428 4/20 0.33
GLA P06280 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
ALDH1A1 P00352 4/20 0.32
TSHR P16473 2/20 0.32

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
SCHEMBL4897580 0.69 GAA (0.39) GAAL3MBTL1KDM4EMAPTHSD17B10
SCHEMBL9327518 0.68 HSD17B10 (0.41) GAAL3MBTL1KDM4EMAPTTAAR1
SCHEMBL2398573 0.68 KDM4E (0.44) HTR1AHTR7HTR2BTMEM97SIGMAR1
SCHEMBL4890988 0.67 NR3C2 (0.45) HTR1AKDM4ECYP19A1HSD17B10HPGD
SCHEMBL6967987 0.66 HDAC3 (0.39) MAPTCYP2C9ALDH1A1HDAC3HDAC2
SCHEMBL14062625 0.62 HTR1A (0.48) HTR1AHTR7HTR2BTMEM97SIGMAR1
SCHEMBL21971652 0.60 HSD17B10 (0.39) KDM4ETAAR1HSD17B10HPGDGLA
SCHEMBL31191628 0.59 ALOX5 (0.55) GAAKDM4ETAAR1HSD17B10HPGD
SCHEMBL1821610 0.59 HSD17B10 (0.42) GAAL3MBTL1KDM4EMAPTTAAR1
SCHEMBL5078568 0.58 HTR1A (0.38) HTR1AHTR7HTR2BTMEM97SIGMAR1

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-0656893-B1 PHOTOCHROMIC OXAZINE COMPOUNDS RODENSTOCK OPTIK G (DE) 2001-12-12 EP disclosed
US-5801243-A REACTING A SUBSTITUTED ALDEHYDE WITH A SUBSTITUTED ORTHO-AMINO-HYDROXY AROMATIC COMPOUND OPTISCHE WERKE G. RODENSTOCK (DE) 1998-09-01 US disclosed