SCHEMBL11077040

SCHEMBL11077040

c1ccc2c(c1)ncn2C1CC[N]CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.58
SLC6A4 P31645 1/20 0.58
OPRM1 P35372 1/20 0.55
OPRL1 P41146 1/20 0.55
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 2/20 0.49
DDB1 Q16531 1/20 0.49
CRBN Q96SW2 1/20 0.49
IKZF3 Q9UKT9 1/20 0.49
USP2 O75604 1/20 0.48
PKM P14618 1/20 0.48
HTT P42858 2/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GAA P10253 2/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GLRA3 O75311 1/20 0.41
GLRB P48167 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
SCHEMBL432010 0.89 DRD2 (0.65) DRD2SLC6A4OPRM1OPRL1KMT2A
SCHEMBL3931858 0.86 DRD2 (0.61) DRD2SLC6A4OPRM1OPRL1KMT2A
SCHEMBL11562405 0.86 DRD2 (0.61) DRD2SLC6A4OPRM1OPRL1KMT2A
SCHEMBL6211429 0.84 OPRM1 (0.63) DRD2SLC6A4OPRM1OPRL1KMT2A
SCHEMBL1012326 0.81 DRD2 (0.57) DRD2SLC6A4OPRM1OPRL1KMT2A
SCHEMBL3290233 0.81 DRD2 (0.57) DRD2SLC6A4OPRM1OPRL1KMT2A
Hydrochloric Acid SCHEMBL4919274 0.80 DRD2 (0.56) DRD2SLC6A4OPRM1OPRL1KMT2A
Hydrochloric Acid SCHEMBL29398597 0.80 DRD2 (0.56) DRD2SLC6A4OPRM1OPRL1KMT2A
Hydrochloric Acid SCHEMBL7655718 0.80 DRD2 (0.56) DRD2SLC6A4OPRM1OPRL1KMT2A
SCHEMBL3730443 0.80 DRD2 (0.72) DRD2SLC6A4OPRM1OPRL1KMT2A

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
US-4487774-A Isochromans THE UPJOHN COMPANY (US) 1984-12-11 US claimed