SCHEMBL20198110

SCHEMBL20198110

Cc1cccc(-c2ccc(CN3CCN(C)CC3)c(F)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHKA P35790 4/20 0.42
▸ SCN9A Q15858 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ TGFBR1 P36897 2/20 0.41
▸ THRB P10828 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ LYN P07948 1/20 0.41
▸ BCR P11274 1/20 0.41
▸ MTOR P42345 1/20 0.40
▸ AXL P30530 1/20 0.40
▸ MERTK Q12866 1/20 0.40
▸ MPO P05164 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
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ TYK2 P29597 1/20 0.40

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
SCHEMBL20198160 0.88 HTR3E (0.41) CHKASCN9AHTR3EHTR3BHTR3A
SCHEMBL15093704 0.87 LMNA (0.43) TGFBR1THRBMTORJAK2JAK1
SCHEMBL20198123 0.86 ALDH1A1 (0.43) SCN9ANPC1TGFBR1THRBJAK2
SCHEMBL15263968 0.85 ALDH1A1 (0.47) SCN9AJAK2JAK1TYK2JAK3
SCHEMBL15266376 0.83 TGFBR1 (0.39) SCN9ANPC1TGFBR1THRBAXL
SCHEMBL20198126 0.82 CHKA (0.48) CHKAMPONR1H2
SCHEMBL15093900 0.80 ALDH1A1 (0.48) JAK2JAK1TYK2JAK3
SCHEMBL15263832 0.78 ALDH1A1 (0.46) SCN9AAXLMERTKJAK2JAK1
SCHEMBL15100956 0.78 MGLL (0.57) —
SCHEMBL21779746 0.78 CHKA (0.48) CHKAMPONR1H2

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-2800565-B1 CARBAMATE COMPOUNDS AND METHODS OF MAKING AND USING SAME LUNDBECK LA JOLLA RESEARCH CENTER INC (US) 2020-03-25 — — EP disclosed
EP-3326627-A1 CARBAMATE COMPOUNDS AND OF MAKING AND USING SAME Abide Therapeutics, Inc. (US) 2018-05-30 — — EP disclosed
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