SCHEMBL9636352

SCHEMBL9636352

CCOCCn1c(CN2CCN(CCNc3nc4cnccc4[nH]3)CC2)nc2cccnc21

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.55
TSHR P16473 1/20 0.41
BACE1 P56817 1/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.34
PKM P14618 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PARP1 P09874 1/20 0.34
GRM2 Q14416 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 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
SCHEMBL9536111 0.90 SLC6A9 (0.44) SLC6A9TSHRBACE1MEN1KMT2A
Fumaric Acid SCHEMBL10383229 0.84 SLC6A9 (0.41) SLC6A9TSHRMEN1KMT2AMAPT
Fumaric Acid SCHEMBL10382851 0.80 SLC6A9 (0.37) SLC6A9TSHRMEN1KMT2AMAPT
Oxalic Acid SCHEMBL9636339 0.80 SLC6A9 (0.56) SLC6A9MEN1KMT2AALDH1A1PKM
SCHEMBL10444904 0.79 SLC6A9 (0.67) SLC6A9TSHRMEN1KMT2AALDH1A1
Oxalic Acid SCHEMBL9634855 0.79 SLC6A9 (0.61) SLC6A9MEN1KMT2AALDH1A1CHRM5
Oxalic Acid SCHEMBL9634849 0.79 SLC6A9 (0.61) SLC6A9MEN1KMT2AALDH1A1CHRM5
SCHEMBL9685926 0.79 SLC6A9 (0.68) SLC6A9TSHRMEN1KMT2AALDH1A1
SCHEMBL9686512 0.79 SLC6A9 (0.68) SLC6A9TSHRMEN1KMT2AALDH1A1
SCHEMBL9687136 0.78 SLC6A9 (0.55) SLC6A9MEN1KMT2AALDH1A1CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0307014-B1 ANTI-ALLERGIC 2-(HETEROCYCLYL ALKYL) IMIDAZO PYRIDINES AND 2-(HETEROCYCLYL ALKYL) PURINES JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-09 EP disclosed
US-5086056-A Treating allergic diseases JANSSEN PHARMACEUTICA N.V. (BE) 1992-02-04 US disclosed
US-5011842-A Antihistamines JANSSEN PHARMACEUTICA N.V. (BE) 1991-04-30 US disclosed
US-4946843-A ANTIALLERGENS JANSSEN PHARMACEUTICA N.V. (BE) 1990-08-07 US disclosed
EP-0307014-A1 Anti-allergic 2-(heterocyclyl alkyl) imidazo pyridines and 2-(heterocyclyl alkyl) purines JANSSEN PHARMACEUTICA N.V. (BE) 1989-03-15 EP disclosed