SCHEMBL20198126

SCHEMBL20198126

Cc1cc(-c2ccc(CN3CCN(C)CC3)c(F)c2)cc(C)n1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHKA P35790 4/20 0.48
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NR1H2 P55055 1/20 0.42
▸ PDE2A O00408 3/20 0.42
▸ ABCB1 P08183 1/20 0.41
▸ MCHR1 Q99705 1/20 0.41
▸ MPO P05164 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ PHGDH O43175 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
SCHEMBL21779746 0.85 CHKA (0.48) CHKAALDH1A1KDM4ESMN1; SMN2NR1H2
SCHEMBL15265082 0.84 ALDH1A1 (0.51) ALDH1A1KDM4EPDE2APOLBTDP1
SCHEMBL20198110 0.82 CHKA (0.42) CHKANR1H2MPO
SCHEMBL22365070 0.82 CHKA (0.55) CHKAALDH1A1KDM4ESMN1; SMN2ABCB1
SCHEMBL14924465 0.78 KDM4E (0.50) CHKAALDH1A1KDM4ESMN1; SMN2NR1H2
SCHEMBL16121936 0.77 CHKA (0.74) CHKAALDH1A1KDM4EPOLBTDP1
SCHEMBL10819382 0.76 KDM4E (0.70) ALDH1A1KDM4ESMN1; SMN2NR1H2MPO
SCHEMBL20198122 0.76 RPS6KA3 (0.45) CHKAPDE2A
SCHEMBL27938056 0.76 IKBKE (0.47) CHKA
SCHEMBL30074247 0.76 MGLL (0.55) —

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
EP-3698782-A1 CARBAMATE COMPOUNDS FOR USE IN THERAPY Lundbeck La Jolla Research Center, Inc. (US) 2020-08-26 — — EP disclosed
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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