SCHEMBL17675693

SCHEMBL17675693

[CH2]COCn1ccc2cccnc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.46
DAO P14920 1/20 0.43
PARP1 P09874 1/20 0.41
P2RX7 Q99572 1/20 0.40
CYP2C19 P33261 1/20 0.38
CDC7 O00311 1/20 0.38
CDK2 P24941 1/20 0.38
SLC22A12 Q96S37 6/20 0.36
PKM P14618 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
RAPGEF4 Q8WZA2 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
ENPP1 P22413 1/20 0.33

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
SCHEMBL28027047 0.81 MTNR1A (0.51) MTNR1ADAOPARP1P2RX7CYP2C19
SCHEMBL30064732 0.80 MTNR1A (0.51) MTNR1ADAOPARP1P2RX7CYP2C19
SCHEMBL260250 0.79 MTNR1A (0.48) MTNR1ADAOPARP1P2RX7CYP2C19
SCHEMBL8827650 0.78 MTNR1A (0.56) MTNR1ADAOPARP1P2RX7CYP2C19
SCHEMBL19588441 0.78 MTNR1A (0.44) MTNR1ADAOPARP1P2RX7CYP2C19
SCHEMBL326707 0.77 MTNR1A (0.48) MTNR1ADAOPARP1P2RX7CYP2C19
SCHEMBL28367836 0.74 KMT2A (0.31) MTNR1A
SCHEMBL16195505 0.74 MTNR1A (0.55) MTNR1ADAOPARP1P2RX7CYP2C19
SCHEMBL2543931 0.74 MTNR1A (0.55) MTNR1ADAOPARP1P2RX7CYP2C19
SCHEMBL27342099 0.74 MTNR1A (0.59) MTNR1ADAOPARP1CYP2C19SLC22A12

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-3204375-A1 SPIRO-INDOLINES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION (RSV) Reviral Limited (GB) 2017-08-16 EP disclosed
WO-2016055780-A1 SPIRO-INDOLINES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION (RSV) RE:VIRAL LTD (GB) 2016-04-14 WO disclosed