SCHEMBL29696698

SCHEMBL29696698

O=C(NC1CCC(Nc2cccc3nc(C(F)(F)F)cn23)CC1)c1c[nH]c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.47
▸ FAAH O00519 1/20 0.42
▸ RAB9A P51151 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ HTR3E A5X5Y0 1/20 0.40
▸ HTR3B O95264 1/20 0.40
▸ HTR3A P46098 1/20 0.40
▸ HTR3D Q70Z44 1/20 0.40
▸ HTR3C Q8WXA8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HTR1A P08908 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ NR2E1 Q9Y466 1/20 0.37
▸ DRD2 P14416 1/20 0.37

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
SCHEMBL25273122 1.00 AHR (0.47) AHRFAAHRAB9APOLBMAPT
SCHEMBL25273121 1.00 AHR (0.47) AHRFAAHRAB9APOLBMAPT
SCHEMBL24583722 0.90 ATR (0.41) AHRPOLBMAPTMEN1KMT2A
SCHEMBL29696916 0.90 ATR (0.41) AHRPOLBMAPTMEN1KMT2A
SCHEMBL24582670 0.89 CRHR1 (0.38) AHRFAAHPOLBMAPTMEN1
SCHEMBL25605757 0.85 AHR (0.44) AHRFAAHRAB9APOLBMAPT
SCHEMBL25597910 0.84 NPC1 (0.53) RAB9ANPC1HTR3AHTR1ADRD2
SCHEMBL29696827 0.84 CD38 (0.40) L3MBTL1
SCHEMBL24583842 0.84 CD38 (0.40) L3MBTL1
SCHEMBL25598102 0.83 TNKS (0.44) —

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-4267553-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. (US) 2023-11-01 — — EP disclosed
WO-2022140520-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. (US) 2022-06-30 — — WO disclosed
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