SCHEMBL27475679

SCHEMBL27475679

O=C(OC(CCCc1ccccc1)Cc1ccccc1)[C@@H]1CCCCN1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 7/20 0.57
CTSC P53634 2/20 0.47
PIN1 Q13526 2/20 0.47
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
MMP1 P03956 2/20 0.40
MMP2 P08253 2/20 0.40
MMP3 P08254 2/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
EPHX2 P34913 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
SCHEMBL7220110 0.94 FKBP1A (0.53) FKBP1ACTSCPIN1SLC6A2SLC6A4
SCHEMBL3674851 0.87 FKBP1A (0.47) FKBP1ACTSCSLC6A2SLC6A4SLC6A3
SCHEMBL16586222 0.81 FKBP1A (0.52) FKBP1A
SCHEMBL5016287 0.81 FKBP1A (0.52) FKBP1A
SCHEMBL25756614 0.78 FKBP1A (0.50) FKBP1A
SCHEMBL22861529 0.78 FKBP1A (0.50) FKBP1A
SCHEMBL5017072 0.78 HTR2C (0.47) CTSCSLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL1980413 0.78 CTSC (0.55) CTSCSLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL3676417 0.78 HTR2C (0.47) CTSCSLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL7222149 0.77 FKBP1A (0.53) FKBP1A

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
CN-1168443-C Methods and compsns. for stimulating neurite growth using compounds with affinity for FKBP12 in combination with neurotrophic factors ��̩��˹ҩ��ɷ����޹�˾ 2004-09-29 CN claimed
CN-1239434-A Methods and compsns. for stimulating neurite growth using compounds with affinity for FKBP12 in combination with neurotrophic factors VERTED PHARMACEUTICALS INC (US) 1999-12-22 CN claimed