SCHEMBL22365070

SCHEMBL22365070

CN1CCN(Cc2ccc(-c3ccccc3)cc2F)CC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHKA P35790 5/20 0.55
▸ BACE1 P56817 1/20 0.54
▸ MC4R P32245 1/20 0.50
▸ MCHR1 Q99705 1/20 0.47
▸ CHRNA7 P36544 1/20 0.47
▸ ABCB1 P08183 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SLC2A1 P11166 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45

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) CHKAABCB1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL16121936 0.83 CHKA (0.74) CHKAALDH1A1SLC2A1KDM4E
SCHEMBL21802522 0.82 BACE1 (0.54) BACE1ALDH1A1LMNAKDM4E
SCHEMBL20198126 0.82 CHKA (0.48) CHKAMCHR1ABCB1ALDH1A1KDM4E
SCHEMBL15094281 0.80 BACE1 (0.48) BACE1ABCB1ALDH1A1LMNASLC2A1
SCHEMBL10819382 0.80 KDM4E (0.70) BACE1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL14986322 0.79 ALDH1A1 (0.68) MC4RCHRNA7ALDH1A1LMNAKDM4E
SCHEMBL3694689 0.79 CHKA (0.51) CHKABACE1MC4RCHRNA7ALDH1A1
SCHEMBL15266145 0.79 BACE1 (0.47) BACE1ABCB1ALDH1A1LMNAKDM4E
SCHEMBL14924465 0.78 KDM4E (0.50) CHKAMC4RALDH1A1KDM4ESMN1; SMN2

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