SCHEMBL11730331

SCHEMBL11730331

O=C1CCC(Cc2ccccc2)CCN1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.61
DDB1 Q16531 2/20 0.51
CRBN Q96SW2 2/20 0.51
CCR3 P51677 2/20 0.44
GPR84 Q9NQS5 1/20 0.43
GRIN2B Q13224 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTR1A P08908 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL8399347 0.88 GBA1 (0.54) GBA1DDB1CRBNGAA
SCHEMBL12040400 0.85 CRBN (0.53) GBA1DDB1CRBNCCR3GPR84
SCHEMBL1760901 0.85 GBA1 (0.58) GBA1DDB1CRBNCCR3GPR84
SCHEMBL5675291 0.78 GBA1 (0.57) GBA1DDB1CRBNCCR3GRIN2B
SCHEMBL87612 0.76 GBA1 (1.00) GBA1CCR3SIGMAR1
SCHEMBL25698327 0.75 GBA1 (0.50) GBA1DDB1CRBN
SCHEMBL25698328 0.75 DDB1 (0.46) GBA1DDB1CRBNCCR3GPR84
Formaldehyde SCHEMBL28466516 0.75 GBA1 (0.89) GBA1CCR3
Hydrochloric Acid SCHEMBL4935892 0.74 GBA1 (0.96) GBA1CCR3
Bromide SCHEMBL10728442 0.74 GBA1 (0.96) GBA1CCR3SIGMAR1

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
US-4003907-A Δ1 -1-Azacycloalkene-2-carboxylic acids and their production BAYER AKTIENGESELLSCHAFT (DT) 1977-01-18 US claimed
US-4003907-A Δ1 -1-Azacycloalkene-2-carboxylic acids and their production BAYER AKTIENGESELLSCHAFT (DT) 1977-01-18 US disclosed