SCHEMBL30486882

SCHEMBL30486882

COc1cnc2c(c1)c(C(=O)OC(C)(C)C)cn2C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 3/20 0.50
▸ NTRK1 P04629 3/20 0.35
▸ GABRG2 P18507 4/20 0.35
▸ GABRB3 P28472 4/20 0.35
▸ GABRA5 P31644 4/20 0.35
▸ GABRA1 P14867 3/20 0.35
▸ GABRA3 P34903 2/20 0.35
▸ GABRA6 Q16445 2/20 0.35
▸ NR4A2 P43354 3/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ SPR P35270 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MTNR1B P49286 1/20 0.33
▸ GABRP O00591 1/20 0.33
▸ GABRD O14764 1/20 0.33
▸ GABRB1 P18505 1/20 0.33
▸ GABRA2 P47869 1/20 0.33
▸ GABRB2 P47870 1/20 0.33
▸ GABRA4 P48169 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
SCHEMBL21979504 1.00 MTNR1A (0.50) MTNR1ANTRK1GABRG2GABRB3GABRA5
SCHEMBL21979491 0.82 MTNR1A (0.55) MTNR1ANTRK1GRM5SPRSMN1; SMN2
SCHEMBL30486887 0.75 MTNR1A (0.38) MTNR1AGABRG2GABRB3GABRA5GABRA1
SCHEMBL21979507 0.75 MTNR1A (0.38) MTNR1AGABRG2GABRB3GABRA5GABRA1
SCHEMBL24342347 0.75 HSD17B10 (0.37) MTNR1ANTRK1GABRG2GABRB3GABRA5
SCHEMBL30495357 0.75 HSD17B10 (0.37) MTNR1ANTRK1GABRG2GABRB3GABRA5
SCHEMBL29376883 0.75 ELANE (0.46) NR4A2BRD4
SCHEMBL17995257 0.75 ELANE (0.46) NR4A2BRD4
SCHEMBL24342426 0.71 MAPT (0.37) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL23612026 0.70 NR4A2 (0.46) MTNR1ANR4A2BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119215031-A Arylaniline and heteroaryl aniline compounds for the treatment of skin cancer 恩福莱克逊治疗有限公司 2024-12-31 — — CN disclosed
CN-113645964-B Arylaniline and heteroaryl aniline compounds for fetal treatment 恩福莱克逊治疗有限公司 2024-10-11 — — CN disclosed
CN-113660931-B Arylaniline and heteroaryl aniline compounds for the treatment of skin cancer 恩福莱克逊治疗有限公司 2024-10-11 — — CN disclosed
CN-111065393-B Pyrrolopyridine-anilines for the treatment of skin disorders 恩福莱克逊治疗有限公司 2023-08-18 — — CN disclosed
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