SCHEMBL6850105

SCHEMBL6850105

Cc1ccc2[nH]c(CCN)cc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 4/20 0.74
HTR2A P28223 2/20 0.46
HTR1D P28221 1/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 2/20 0.46
PIN1 Q13526 1/20 0.45
DAO P14920 1/20 0.45
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 3/20 0.43
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
GFER P55789 1/20 0.43
KMT2A Q03164 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
HRH1 P35367 1/20 0.43

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
Hydrochloric Acid SCHEMBL2271950 0.98 LOXL2 (0.72) LOXL2HTR2AHTR1DRAB9ANPC1
SCHEMBL11806220 0.86 LOXL2 (0.54) LOXL2HTR2AHTR1DDAOCA12
SCHEMBL31406127 0.86 LOXL2 (0.54) LOXL2HTR2AHTR1DDAOCA12
SCHEMBL19953415 0.85 LOXL2 (1.00) LOXL2RAB9ANPC1PIN1DAO
SCHEMBL865051 0.85 LOXL2 (0.72) LOXL2RAB9ANPC1PIN1DAO
SCHEMBL8296766 0.79 LOXL2 (0.70) LOXL2RAB9ANPC1PIN1DAO
SCHEMBL11811160 0.79 IDO1 (0.49) LOXL2HTR2ADAOKDM4EALDH1A1
SCHEMBL31190977 0.79 CYP1A2 (0.47) LOXL2HTR2AHTR1DHSD17B10MAPT
SCHEMBL6803154 0.78 LOXL2 (0.77) LOXL2HTR2AHTR1DRAB9ANPC1
SCHEMBL3052921 0.78 LOXL2 (0.58) LOXL2RAB9ANPC1PIN1DAO

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
US-3930948-A ENZYMATIC METHOD FOR PRODUCING AROMATIC ETHYLAMINES AJINOMOTO CO., INC. (JA) 1976-01-06 US claimed
WO-2011024078-A1 3 -OXOPIPERAZINIUM DERIVATIVES AS AGONISTS OF NERVE GROWTH FACTOR AND THEIR USE AS MEDICAMENTS INSTITUT D'INVESTIGACIONS BIOMEDIQUES AUGUST PII SUNYER (IDIBAPS) (ES) 2011-03-03 WO disclosed
EP-2289882-A1 3-oxopiperazinium derivatives as agonists of nerve growth factor and their use as medicaments Institut d'Investigacions Biomédiques August PI I Sunyer (ES) 2011-03-02 EP disclosed