SCHEMBL3237378

SCHEMBL3237378

Cc1ccc(N)cc1C(=O)NCCc1cccc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.56
MTNR1B P49286 4/20 0.47
NQO2 P16083 4/20 0.47
TRPV1 Q8NER1 1/20 0.47
MAPK14 Q16539 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL27382856 0.87 MTNR1A (0.58) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL27382865 0.86 MTNR1A (0.56) MTNR1AMTNR1BNQO2TRPV1NPC1
SCHEMBL3232172 0.85 SMN1; SMN2 (0.62) MTNR1AMTNR1BNQO2TRPV1SMN1; SMN2
SCHEMBL3240519 0.85 MTNR1A (0.56) MTNR1AMTNR1BNQO2TRPV1SMN1; SMN2
SCHEMBL3235212 0.83 MTNR1A (0.54) MTNR1AMTNR1BNQO2
SCHEMBL3226619 0.82 MAPT (0.51) MTNR1ASMN1; SMN2NPC1RAB9A
SCHEMBL29494284 0.81 NPC1 (0.69) NPC1RAB9AATM
SCHEMBL4092749 0.80 MTNR1A (0.62) MTNR1AMTNR1BNQO2TRPV1NPC1
SCHEMBL3235168 0.80 TRPV1 (0.66) MTNR1AMTNR1BNQO2TRPV1NPC1
SCHEMBL7898025 0.79 MTNR1A (0.68) MTNR1AMTNR1BNQO2TRPV1NPC1

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
WO-2024086132-A1 PROTACS TARGETING VIRAL ENZYMES FOR PRECISE TREATMENT OF COVID-19 OHIO UNIVERSITY (US) 2024-04-25 WO disclosed
WO-2021189046-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF SARS-COV-2 UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2021-09-23 WO disclosed
WO-2010022355-A1 COMPOUNDS AND METHODS FOR TREATING RESPIRATORY DISEASES PURDUE RESEARCH FOUNDATION (US) 2010-02-25 WO disclosed