SCHEMBL24022282

SCHEMBL24022282

CCn1c2ccc(-c3ccccc3)cc2c2cc(N(c3ccc(OC)cc3)c3ccc4c(c3)C3(c5cc(N(c6ccc(OC)cc6)c6ccc7c(c6)c6cc(-c8ccccc8)ccc6n7CC)ccc5-4)c4ccsc4-c4sccc43)ccc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSPO P30536 8/20 0.40
GRIK2 Q13002 4/20 0.38
GRIK1 P39086 2/20 0.35
PTGER4 P35408 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDK2 Q15119 1/20 0.32
POLB P06746 1/20 0.32
NPY5R Q15761 1/20 0.32

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
SCHEMBL24022281 0.93 TSPO (0.36) TSPOPTGER4KDM4EMAPTALDH1A1
SCHEMBL21940541 0.91 METAP2 (0.36) TSPOGRIK2GRIK1KDM4EMAPT
SCHEMBL21940559 0.91 MAPT (0.41) TSPOGRIK2PTGER4KDM4EMAPT
SCHEMBL21940558 0.90 PTGER4 (0.42) GRIK2GRIK1PTGER4KDM4EMAPT
SCHEMBL21939618 0.90 GRIK2 (0.36) TSPOGRIK2GRIK1PTGER4KDM4E
SCHEMBL24022109 0.89 TSPO (0.43) TSPOGRIK2GRIK1PTGER4KDM4E
SCHEMBL24022287 0.88 GRIK2 (0.33) TSPOGRIK2GRIK1PTGER4KDM4E
SCHEMBL21939873 0.88 GRIK2 (0.35) GRIK2GRIK1PTGER4KDM4EMAPT
SCHEMBL21940013 0.87 TSPO (0.40) TSPOGRIK2GRIK1PTGER4KDM4E
SCHEMBL21940567 0.86 PTGER4 (0.34) GRIK2GRIK1PTGER4KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11177403-B2 Perovskite solar cell KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2021-11-16 US disclosed