SCHEMBL6981234

SCHEMBL6981234

Cc1cc(N2CC=C(c3ccccc3)CC2)nc(Nc2ccc(C(C)C)cc2Br)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.38
HTT P42858 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 1/20 0.35
TSHR P16473 2/20 0.35
PKM P14618 1/20 0.35
CRHBP P24387 1/20 0.35
PIK3CB P42338 1/20 0.35
CRHR2 Q13324 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC2A1 P11166 2/20 0.34

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
SCHEMBL6984429 0.86 ALDH1A1 (0.39) CRHR1MAPTALDH1A1KDM4EHTT
SCHEMBL27472886 0.81 SLC2A1 (0.40) MAPTALDH1A1KDM4EHTTMEN1
SCHEMBL7680672 0.78 CRHR1 (0.57) CRHR1MAPTALDH1A1KDM4EHTT
Hydrochloric Acid SCHEMBL6986992 0.77 CRHR1 (0.68) CRHR1
SCHEMBL7678043 0.75 MAPT (0.59) CRHR1MAPTALDH1A1MEN1KMT2A
SCHEMBL6980777 0.71 MAPT (0.45) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL29742731 0.70 CRHR1 (0.63) CRHR1
Hydrochloric Acid SCHEMBL6985057 0.70 CRHR1 (0.62) CRHR1
Hydrochloric Acid SCHEMBL27475047 0.69 CRHR1 (0.46) CRHR1MAPTKDM4E
SCHEMBL27475432 0.68 SLC2A1 (0.39) MAPTALDH1A1KDM4EHTTMEN1

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-0976745-B1 4-TETRAHYDROPYRIDYLPYRIMIDINE DERIVATIVES TAISHO PHARMACEUTICAL CO LTD (JP) 2003-08-13 EP disclosed
US-6187781-B1 CORTICOTROPIN RELEASING FACTOR RECEPTOR ANTAGONISTS; ALZHEIMER*S, HUNTINGTON, AND PARKINSON DISEASE; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2001-02-13 US disclosed
EP-0976745-A1 4-TETRAHYDROPYRIDYLPYRIMIDINE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD (JP) 2000-02-02 EP disclosed