SCHEMBL9529336

SCHEMBL9529336

OC1(c2ccccc2)CCN(CCC2OCCO2)CC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.57
SIGMAR1 Q99720 1/20 0.57
POLB P06746 1/20 0.54
DRD2 P14416 2/20 0.52
KCNA3 P22001 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
OPRM1 P35372 1/20 0.48
CCR3 P51677 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CCR1 P32246 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
SCHEMBL8741960 0.94 OPRL1 (0.55) OPRL1SIGMAR1POLBDRD2KCNA3
SCHEMBL9533670 0.86 DRD2 (0.60) OPRL1DRD2OPRM1CCR3CCR1
SCHEMBL9529535 0.86 DRD2 (0.60) SIGMAR1DRD2OPRM1
SCHEMBL9528489 0.78 CCR1 (0.50) OPRL1SIGMAR1DRD2MEN1KMT2A
SCHEMBL17592683 0.78 OPRL1 (0.49) OPRL1SIGMAR1POLBDRD2KCNA3
SCHEMBL9529302 0.78 SLC6A1 (0.61) OPRL1SIGMAR1POLBDRD2MEN1
SCHEMBL24489451 0.76 OPRL1 (0.65) OPRL1SIGMAR1POLBDRD2KCNA3
SCHEMBL1307928 0.76 OPRL1 (0.65) OPRL1SIGMAR1POLBDRD2KCNA3
SCHEMBL2059079 0.76 OPRL1 (0.68) OPRL1SIGMAR1POLBDRD2KCNA3
SCHEMBL9370237 0.75 SIGMAR1 (0.72) OPRL1SIGMAR1POLBDRD2KCNA3

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-0556342-A1 NEW 1-AZABICYCLOALKANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME GYOGYSZERKUTATO INTEZET K.V. (HU) 1993-08-25 EP disclosed
WO-1992007854-A1 NEW 1-AZABICYCLOALKANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME GYÓGYSZERKUTATÓ INTÉZET KV. (HU) 1992-05-14 WO disclosed